小分子和化合物库
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N-BOC-6-溴代己胺CAS号: 142356-33-0 Compound CID : 16211353分子式: C11H22BrNO2 分子量: 280.20IUPAC Name: tert-butyl N-(6-bromohexyl)carbamateSMILES: CC(C)(C)OC(=O)NCCCCCCBrInChIKey: NXQXVXILNVTMNA-UHFFFAOYSA-NInChI: 1S/C11H22BrNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9H2,1-3H3,(H,13,14)
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亚氨基二乙酸二叔丁酯CAS号: 85916-13-8分子式: C12H23NO4 分子量: 245.32IUPAC Name: tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetateSMILES: CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)CInChIKey: SMXMBXPLRFTROI-UHFFFAOYSA-NInChI: 1S/C12H23NO4/c1-11(2,3)16-9(14)7-13-8-10(15)17-12(4,5)6/h13H,7-8H2,1-6H3
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L-[1-13C]葡萄糖CAS号: 478519-02-7分子式: C513CH12O6 分子量: 181.15IUPAC Name: (3S,4R,5R,6S)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-WIZIAPGRSA-NInChI: 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m0/s1/i6+1
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乙酰胆碱-d9氯化物CAS号: 344298-95-9分子式: C7H7D9ClNO2 分子量: 190.72IUPAC Name: 2-acetyloxyethyl-tris(trideuteriomethyl)azanium;chlorideSMILES: CC(=O)OCC[N+](C)(C)C.[Cl-]InChIKey: JUGOREOARAHOCO-WWMMTMLWSA-MInChI: 1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i2D3,3D3,4D3;
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富马酸13C4CAS号: 201595-62-2分子式: 13C4H4O4 分子量: 120.04IUPAC Name: (E)-(1,2,3,4-13C4)but-2-enedioic acidSMILES: C(=CC(=O)O)C(=O)OInChIKey: VZCYOOQTPOCHFL-BHBLSLFXSA-NInChI: 1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1+1,2+1,3+1,4+1
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二十碳五烯酸甲酯CAS号: 2734-47-6分子式: CH3(CH2CH=CH)5(CH2)3CO2CH3 分子量: 316.48IUPAC Name: methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoateSMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCInChIKey: QWDCYFDDFPWISL-JEBPEJKESA-NInChI: 1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
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D-亮氨醇CAS号: 53448-09-2分子式: C6H15NO 分子量: 117.19IUPAC Name: (2R)-2-amino-4-methylpentan-1-olSMILES: CC(C)CC(CO)NInChIKey: VPSSPAXIFBTOHY-ZCFIWIBFSA-NInChI: 1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
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