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2,3-Bis(3'-Acetyl-5'-ethoxycaebonyl-4'-methylpyrrole-2'-ylmethyl)benzothiophene
SpectraBase Compound ID He5ayWrxmd1
InChI InChI=1S/C30H32N2O6S/c1-7-37-29(35)27-15(3)25(17(5)33)21(31-27)13-20-19-11-9-10-12-23(19)39-24(20)14-22-26(18(6)34)16(4)28(32-22)30(36)38-8-2/h9-12,31-32H,7-8,13-14H2,1-6H3
InChIKey AKGLPXFQOJBJJQ-UHFFFAOYSA-N
Mol Weight 548.7 g/mol
Molecular Formula C30H32N2O6S
Exact Mass 548.198108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZRPHNBLmcU
Name 2,3-Bis(3'-Acetyl-5'-ethoxycaebonyl-4'-methylpyrrole-2'-ylmethyl)benzothiophene
Alternate Name(s) 4-Acetyl-5-[[2-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-1-benzothiophen-3-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-acetyl-5-[[2-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-1-benzothiophen-3-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate Ethyl 4-acetyl-5-[[2-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]benzothiophen-3-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate Ethyl 4-ethanoyl-5-[[2-[(3-ethanoyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-1-benzothiophen-3-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
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Formula C30H32N2O6S
InChI InChI=1S/C30H32N2O6S/c1-7-37-29(35)27-15(3)25(17(5)33)21(31-27)13-20-19-11-9-10-12-23(19)39-24(20)14-22-26(18(6)34)16(4)28(32-22)30(36)38-8-2/h9-12,31-32H,7-8,13-14H2,1-6H3
InChIKey AKGLPXFQOJBJJQ-UHFFFAOYSA-N
Molecular Weight 548.654 g/mol
SMILES [nH]1c(c(c(c1Cc1c(Cc2c(c(c([nH]2)C(=O)OCC)C)C(=O)C)sc2c1cccc2)C(=O)C)C)C(=O)OCC
SPLASH splash10-0006-0029020000-9303a56f987b19382842
Source of Spectrum KC-1992-1782-28
Wiley ID 776633