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3-(4'-Acetyl-5'-ethoxycaebonyl-3'-methylpyrrole-2'-ylmethyl)benzothiophene
SpectraBase Compound ID 4NsPz72j2EY
InChI InChI=1S/C19H19NO3S/c1-4-23-19(22)18-11(2)17(12(3)21)15(20-18)9-13-10-24-16-8-6-5-7-14(13)16/h5-8,10,20H,4,9H2,1-3H3
InChIKey JRZAOZGETVAFNQ-UHFFFAOYSA-N
Mol Weight 341.43 g/mol
Molecular Formula C19H19NO3S
Exact Mass 341.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PYtOtVKXee
Name 3-(4'-Acetyl-5'-ethoxycaebonyl-3'-methylpyrrole-2'-ylmethyl)benzothiophene
Alternate Name(s) 3-(3'-Acetyl-5'-ethoxycaebonyl-4'-methylpyrrole-2'-ylmethyl)benzothiophene 4-Acetyl-5-(1-benzothiophen-3-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-acetyl-5-(1-benzothiophen-3-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylate Ethyl 4-acetyl-5-(benzothiophen-3-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylate Ethyl 5-(1-benzothiophen-3-ylmethyl)-4-ethanoyl-3-methyl-1H-pyrrole-2-carboxylate
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Formula C19H19NO3S
InChI InChI=1S/C19H19NO3S/c1-4-23-19(22)18-11(2)17(12(3)21)15(20-18)9-13-10-24-16-8-6-5-7-14(13)16/h5-8,10,20H,4,9H2,1-3H3
InChIKey JRZAOZGETVAFNQ-UHFFFAOYSA-N
Molecular Weight 341.425 g/mol
SMILES [nH]1c(c(c(c1Cc1csc2c1cccc2)C(=O)C)C)C(=O)OCC
SPLASH splash10-0006-0297000000-616f2bd78a87d07c805e
Source of Spectrum KC-1992-1781-27
Wiley ID 776634