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3-Methyl-5-(1-oxide-4,5-dihydro-3H-pyrrol-2-yl)penta-2,4-dienoic acid ethyl ester
SpectraBase Compound ID C8tfCvYPupQ
InChI InChI=1S/C12H17NO3/c1-3-16-12(14)9-10(2)6-7-11-5-4-8-13(11)15/h6-7,9H,3-5,8H2,1-2H3/b7-6+,10-9+
InChIKey ABKUFLHEURMWND-AVQMFFATSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYzzG7acyli
Name 3-Methyl-5-(1-oxide-4,5-dihydro-3H-pyrrol-2-yl)penta-2,4-dienoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-3-16-12(14)9-10(2)6-7-11-5-4-8-13(11)15/h6-7,9H,3-5,8H2,1-2H3/b7-6+,10-9+
InChIKey ABKUFLHEURMWND-AVQMFFATSA-N
Molecular Weight 223.272 g/mol
SMILES C1(=[N+](CCC1)[O-])\C=C\C(=C\C(=O)OCC)C
SPLASH splash10-003r-0920000000-ba2de04b82e64eb5a7c9
Source of Spectrum CV-2003-1370-8
Wiley ID 1611117