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Ethyl 4-acetyl-1-{[2-(3-thienyl)acetyl]amino}-2,5-dimethyl-1H-pyroole-3-carboxylate
SpectraBase Compound ID GjOEDPui4jW
InChI InChI=1S/C17H20N2O4S/c1-5-23-17(22)16-11(3)19(10(2)15(16)12(4)20)18-14(21)8-13-6-7-24-9-13/h6-7,9H,5,8H2,1-4H3,(H,18,21)
InChIKey QDSCCWAALSLOLY-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C17H20N2O4S
Exact Mass 348.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJZt3HBCcPa
Name Ethyl 4-acetyl-1-{[2-(3-thienyl)acetyl]amino}-2,5-dimethyl-1H-pyroole-3-carboxylate
Alternate Name(s) 4-acetyl-2,5-dimethyl-1-[[1-oxo-2-(3-thiophenyl)ethyl]amino]-3-pyrrolecarboxylic acid ethyl ester ethyl 4-acetyl-2,5-dimethyl-1-[(2-thiophen-3-ylacetyl)amino]pyrrole-3-carboxylate ethyl 4-acetyl-2,5-dimethyl-1-[[2-(3-thienyl)acetyl]amino]pyrrole-3-carboxylate ethyl 4-ethanoyl-2,5-dimethyl-1-(2-thiophen-3-ylethanoylamino)pyrrole-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H20N2O4S
InChI InChI=1S/C17H20N2O4S/c1-5-23-17(22)16-11(3)19(10(2)15(16)12(4)20)18-14(21)8-13-6-7-24-9-13/h6-7,9H,5,8H2,1-4H3,(H,18,21)
InChIKey QDSCCWAALSLOLY-UHFFFAOYSA-N
Molecular Weight 348.417 g/mol
SMILES N([n]1c(c(c(c1C)C(=O)C)C(=O)OCC)C)C(=O)Cc1cscc1
SPLASH splash10-0002-0009000000-1215ec880fe14efe25d3
Source of Spectrum KC-57-1391-5
Wiley ID 1622889