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硫酸奎宁荧光标准物质分子式: C40H48N4O4.H2SO4.2H2O 分子量: 782.95IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrateSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)OInChIKey: ZHNFLHYOFXQIOW-LPYZJUEESA-NInChI: InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1
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四螨嗪CAS号 : 74115-24-5 Compound CID : 73670分子式: C14H8Cl2N4 分子量: 303.15IUPAC Name: 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazineSMILES: C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)ClInChIKey: UXADOQPNKNTIHB-UHFFFAOYSA-NInChI: InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
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更昔洛韦-d5CAS号 : 1189966-73-1分子式: C9H8D5N5O4 分子量: 260.26SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])O)OCN1C=NC2C1=NC(=NC2=O)N)O
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N-Boc-哌嗪-d8CAS号 : 1126621-86-0分子式: C9H10D8N2O2 分子量: 194.30IUPAC Name: tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCNCC1InChIKey: CWXPZXBSDSIRCS-DUSUNJSHSA-NInChI: InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2
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N-去甲基氯氮平-d8CAS号 : 1189888-77-4分子式: C17H9D8ClN4 分子量: 320.85IUPAC Name: 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UFBJYANTSA-NInChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2/i7D2,8D2,9D2,10D2
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哌嗪-2,2,3,3,5,5,6,6-d8二盐酸盐一水合物CAS号 : 314062-45-8分子式: C4H6D8Cl2N2O 分子量: 185.12IUPAC Name: 2,2,3,3,5,5,6,6-octadeuteriopiperazine;dihydrochlorideSMILES: C1CNCCN1.Cl.ClInChIKey: CVVIJWRCGSYCMB-VHGLFXLXSA-NInChI: InChI=1S/C4H10N2.2ClH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H/i1D2,2D2,3D2,4D2;;
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异戊酸-d9CAS号 : 344298-81-3分子式: C5HD9O2 分子量: 111.19IUPAC Name: 2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic acidSMILES: CC(C)CC(=O)OInChIKey: GWYFCOCPABKNJV-CBZKUFJVSA-NInChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
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异烟肼-d4CAS号 : 774596-24-6分子式: C6H3D4N3O 分子量: 141.16IUPAC Name: 2,3,5,6-tetradeuteriopyridine-4-carbohydrazideSMILES: C1=CN=CC=C1C(=O)NNInChIKey: QRXWMOHMRWLFEY-RHQRLBAQSA-NInChI: InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)/i1D,2D,3D,4D
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磺胺二甲嘧啶-d4CAS号 : 1020719-82-7 Compound CID : 45040438分子式: C12H10D4N4O2S 分子量: 282.35IUPAC Name: 4-amino-2,3,5,6-tetradeuterio-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamideSMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)CInChIKey: ASWVTGNCAZCNNR-LNFUJOGGSA-NInChI: InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)/i3D,4D,5D,6D
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雷尼替丁-d6，盐酸盐CAS号 : 1185238-09-8 Compound CID : 45040340分子式: C13H17D6ClN4O3S 分子量: 356.9IUPAC Name: (E)-1-N'-[2-[[5-[[bis(trideuteriomethyl)amino]methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochlorideSMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.ClInChIKey: GGWBHVILAJZWKJ-DICWLCDHSA-NInChI: InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;/i2D3,3D3;
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2-甲苯胺-d7CAS号 : 68408-22-0分子式: C₇H₂D₇N 分子量: 114.20IUPAC Name: N,N,2,3,4,5-hexadeuterio-6-(trideuteriomethyl)anilineSMILES: CC1=CC=CC=C1NInChIKey: RNVCVTLRINQCPJ-LLZDZVHOSA-NInChI: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3/i1D3,2D,3D,4D,5D/hD2
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4-硝基苯甲酸-d4CAS号 : 171777-66-5分子式: C7HD4NO4 分子量: 171.14IUPAC Name: 2,3,5,6-tetradeuterio-4-nitrobenzoic acidSMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]InChIKey: OTLNPYWUJOZPPA-RHQRLBAQSA-NInChI: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)/i1D,2D,3D,4D
