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1H-Pyrrole-3-carboxylic acid, 4-(3-methoxy-3-oxo-1-propenyl)-5-methyl-, methyl ester, (E)-
SpectraBase Compound ID IUevbr6JWxs
InChI InChI=1S/C11H13NO4/c1-7-8(4-5-10(13)15-2)9(6-12-7)11(14)16-3/h4-6,12H,1-3H3/b5-4+
InChIKey AYOHNIYXKMTIQH-SNAWJCMRSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lbDbvSXecX
Name 1H-Pyrrole-3-carboxylic acid, 4-(3-methoxy-3-oxo-1-propenyl)-5-methyl-, methyl ester, (E)-
Alternate Name(s) Methyl 4-[(1E)-3-methoxy-3-oxo-1-propenyl]-5-methyl-1H-pyrrole-3-carboxylate Methyl ester of 4-[(E)-2-(methoxycarbonyl)ethenyl]-5-methyl-3-pyrrolcarboxylic acid
CAS Registry Number 90909-62-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-7-8(4-5-10(13)15-2)9(6-12-7)11(14)16-3/h4-6,12H,1-3H3/b5-4+
InChIKey AYOHNIYXKMTIQH-SNAWJCMRSA-N
Molecular Weight 223.228 g/mol
SMILES [nH]1c(c(c(c1)C(=O)OC)\C=C\C(=O)OC)C
SPLASH splash10-0006-0910000000-75928464477c85d93024
Source of Spectrum K-117-1632-0
Wiley ID 1223850