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小分子和化合物库
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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: See more
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四螨嗪CAS号: 74115-24-5 EC号: 277-728-2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: 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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L-精氨酸-¹³C₆,¹⁵N₄盐酸盐CAS号: 202468-25-5分子式: 13C6H15Cl¹⁵N4O2 分子量: 220.59IUPAC Name: (2S)-2-(15N)azanyl-5-[bis(15N)(azanyl)(113C)methylideneamino](1,2,3,4,5-13C5)pentanoic acid;hydrochlorideSMILES: C(CC(C(=O)O)N)CN=C(N)N.ClInChIKey: KWTQSFXGGICVPE-YAUSPDTOSA-NInChI: 1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1;
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3-甲氧基酪胺-d4 盐酸盐CAS号: 1216788-76-9分子式: C9H10D4ClNO2 分子量: 207.69SMILES: COC1=CC(C([2H])([2H])C([2H])([2H])N)=CC=C1O.Cl
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Fmoc-L-亮氨酸-d10CAS号: 1190594-22-9分子式: C21H13D10NO4 分子量: 363.47IUPAC Name: (2S)-2,3,3,4,5,5,5-heptadeuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(trideuteriomethyl)pentanoic acidSMILES: CC(C)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13InChIKey: CBPJQFCAFFNICX-QDXFTFMQSA-NInChI: 1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1/i1D3,2D3,11D2,13D,19D
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去甲变肾上腺素盐酸盐-d3CAS号: 1085333-97-6分子式: C9H11D3ClNO3 分子量: 222.68IUPAC Name: 4-(2-amino-1,2,2-trideuterio-1-hydroxyethyl)-2-methoxyphenol;hydrochlorideSMILES: COC1=C(C=CC(=C1)C(CN)O)O.ClInChIKey: VKFPRGQZWKTEON-IJJJTAPTSA-NInChI: 1S/C9H13NO3.ClH/c1-13-9-4-6(8(12)5-10)2-3-7(9)11;/h2-4,8,11-12H,5,10H2,1H3;1H/i5D2,8D;
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