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Methyl 2-(1'-benzyltetrahydro-1H-pyrrol-2'-ylidene)-4-oxo-4-(2"-thienyl)butanoate
SpectraBase Compound ID DAneMnv10W
InChI InChI=1S/C20H21NO3S/c1-24-20(23)16(13-18(22)19-10-6-12-25-19)17-9-5-11-21(17)14-15-7-3-2-4-8-15/h2-4,6-8,10,12H,5,9,11,13-14H2,1H3/b17-16-
InChIKey MWDKJOWSVGNQNM-MSUUIHNZSA-N
Mol Weight 355.45 g/mol
Molecular Formula C20H21NO3S
Exact Mass 355.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LH3PWWcPre0
Name Methyl 2-(1'-benzyltetrahydro-1H-pyrrol-2'-ylidene)-4-oxo-4-(2"-thienyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3S
InChI InChI=1S/C20H21NO3S/c1-24-20(23)16(13-18(22)19-10-6-12-25-19)17-9-5-11-21(17)14-15-7-3-2-4-8-15/h2-4,6-8,10,12H,5,9,11,13-14H2,1H3/b17-16-
InChIKey MWDKJOWSVGNQNM-MSUUIHNZSA-N
Molecular Weight 355.452 g/mol
SMILES C(N1\C(=C\(CC(c2sccc2)=O)C(=O)OC)CCC1)c1ccccc1
SPLASH splash10-0006-0091000000-75b292675b1d1dab789a
Source of Spectrum U1-1998-1184-2
Synonyms Methyl (2Z)-2-(1-benzyl-2-pyrrolidinylidene)-4-oxo-4-(2-thienyl)butanoate
Wiley ID 751371