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N，N′-亚甲基双丙烯酰胺CAS号 : 110-26-9分子式: C7H10N2O2 分子量: 154.17IUPAC Name: N-[(prop-2-enoylamino)methyl]prop-2-enamideSMILES: C=CC(=O)NCNC(=O)C=CInChIKey: ZIUHHBKFKCYYJD-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O2/c1-3-6(10)8-5-9-7(11)4-2/h3-4H,1-2,5H2,(H,8,10)(H,9,11)
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磷酸氢二钾,三水CAS号 : 16788-57-1 Compound CID : 16217523分子式: K2HPO4·3H2O 分子量: 228.22IUPAC Name: dipotassium;hydrogen phosphate;trihydrateSMILES: O.O.O.OP(=O)([O-])[O-].[K+].[K+]InChIKey: XQGPKZUNMMFTAL-UHFFFAOYSA-LInChI: InChI=1S/2K.H3O4P.3H2O/c;;1-5(2,3)4;;;/h;;(H3,1,2,3,4);3*1H2/q2*+1;;;;/p-2
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十氢化萘-d₁₈CAS号 : 28788-42-3 Compound CID : 2724146分子式: C10D18 分子量: 156.36IUPAC Name: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthaleneSMILES: C1CCC2CCCCC2C1InChIKey: NNBZCPXTIHJBJL-XRRAJICISA-NInChI: InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D
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双(降冰片二烯)四氟硼酸铑(I)CAS号 : 36620-11-8 Compound CID : 10915722分子式: C14H16BF4Rh 分子量: 373.99IUPAC Name: bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborateSMILES: [B-](F)(F)(F)F.C1C2C=CC1C=C2.C1C2C=CC1C=C2.[Rh]InChIKey: ZWPWNBFOFVFMPP-UHFFFAOYSA-NInChI: InChI=1S/2C7H8.BF4.Rh/c2*1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h2*1-4,6-7H,5H2;;/q;;-1;
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N，N-二甲基-d6-甘氨酸盐酸盐CAS号 : 347840-03-3 Compound CID : 71308968分子式: C4H4D6ClNO2 分子量: 145.62IUPAC Name: 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochlorideSMILES: CN(C)CC(=O)O.ClInChIKey: FKASAVXZZLJTNX-TXHXQZCNSA-NInChI: InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H/i1D3,2D3;
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rac-布洛芬-d3CAS号 : 121662-14-4 Compound CID : 12225947分子式: C13H15D3O2 分子量: 209.3IUPAC Name: 3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acidSMILES: OC(C(C1=CC=C(CC(C)C)C=C1)C([2H])([2H])[2H])=OInChIKey: HEFNNWSXXWATRW-HPRDVNIFSA-NInChI: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3
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亚硝基双（2-羟乙基）胺-d8CAS号 : 1173019-53-8 Compound CID : 46782564分子式: C4H2D8N2O3 分子量: 142.18IUPAC Name: N,N-bis(1,1,2,2-tetradeuterio-2-hydroxyethyl)nitrous amideSMILES: C(CO)N(CCO)N=OInChIKey: YFCDLVPYFMHRQZ-SVYQBANQSA-NInChI: InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2/i1D2,2D2,3D2,4D2
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利培酮-d4CAS号 : 1020719-76-9分子式: C23H23D4FN4O2 分子量: 414.51IUPAC Name: 2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneSMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)FInChIKey: RAPZEAPATHNIPO-RIEWMPPISA-NInChI: InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3/i9D2,13D2
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