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1-Boc-2-(氨甲基)吡咯烷CAS号 : 177911-87-4 Compound CID : 2756484分子式: C10H20N2O2 分子量: 200.28IUPAC Name: tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylateSMILES: CC(C)(C)OC(=O)N1CCCC1CNInChIKey: SOGXYCNKQQJEED-UHFFFAOYSA-NInChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3
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4-异丙基苯磺酰氯CAS号 : 54997-90-9分子式: (CH3)2CHC6H4SO2Cl 分子量: 218.70IUPAC Name: 4-propan-2-ylbenzenesulfonyl chlorideSMILES: CC(C)c1ccc(cc1)S(Cl)(=O)=OInChIKey: CETRNHJIXGITKR-UHFFFAOYSA-NInChI: InChI=1S/C9H11ClO2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3
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4-甲基-2-苯基-2-戊烯醛CAS号 : 26643-91-4 Compound CID : 540124分子式: C12H14O 分子量: 174.24IUPAC Name: 4-methyl-2-phenylpent-2-enalSMILES: CC(C)C=C(C=O)C1=CC=CC=C1InChIKey: ULRYRAHIBWLZKC-UHFFFAOYSA-NInChI: InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3
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rac-甘油1-磷酸二钠六水合物CAS号 : 34363-28-5 Compound CID : 43835013分子式: C3H7Na2O6P・6H2O 分子量: 324.13IUPAC Name: disodium;2,3-dihydroxypropyl phosphate;hexahydrateSMILES: C(C(COP(=O)([O-])[O-])O)O.O.O.O.O.O.O.[Na+].[Na+]InChIKey: WYHXKNIXHCIVHR-UHFFFAOYSA-LInChI: InChI=1S/C3H9O6P.2Na.6H2O/c4-1-3(5)2-9-10(6,7)8;;;;;;;;/h3-5H,1-2H2,(H2,6,7,8);;;6*1H2/q;2*+1;;;;;;/p-2
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三苯基膦二碘化物分子式: C18H15I2P 分子量: 516.09IUPAC Name: diiodo(triphenyl)-λ5-phosphaneSMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(I)IInChIKey: NSWZEXJQHIXCFL-UHFFFAOYSA-NInChI: InChI=1S/C18H15I2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
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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-氨基-6,8-二羟基嘌呤盐酸盐CAS号 : 1246818-54-1 Compound CID : 136257790分子式: C5H6ClN5O2 分子量: 203.59IUPAC Name: 2-amino-7,9-dihydro-1H-purine-6,8-dione;hydrochlorideSMILES: C12=C(NC(=O)N1)N=C(NC2=O)N.ClInChIKey: NZKRTEBHJIBRHK-UHFFFAOYSA-NInChI: InChI=1S/C5H5N5O2.ClH/c6-4-8-2-1(3(11)10-4)7-5(12)9-2;/h(H5,6,7,8,9,10,11,12);1H
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5-甲基四氢叶酸二钠盐CAS号 : 68792-52-9 Compound CID : 135445749分子式: C20H23N7Na2O6 分子量: 503.42IUPAC Name: disodium;2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioateSMILES: CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]InChIKey: KKIWVYLOTHCGRV-UHFFFAOYSA-LInChI: InChI=1S/C20H25N7O6.2Na/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);;/q;2*+1/p-2
