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2-Propenoic acid, 3-[2,3-dihydro-2,2-dimethyl-1-(1-methylethyl)-3-oxo-1H-pyrrol-4-yl]-, methyl ester, (E)-
SpectraBase Compound ID 3XFC4X68tOA
InChI InChI=1S/C13H19NO3/c1-9(2)14-8-10(6-7-11(15)17-5)12(16)13(14,3)4/h6-9H,1-5H3/b7-6+
InChIKey DXQDYKOVBAEHLL-VOTSOKGWSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6s7fgn820F
Name 2-Propenoic acid, 3-[2,3-dihydro-2,2-dimethyl-1-(1-methylethyl)-3-oxo-1H-pyrrol-4-yl]-, methyl ester, (E)-
CAS Registry Number 121725-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-9(2)14-8-10(6-7-11(15)17-5)12(16)13(14,3)4/h6-9H,1-5H3/b7-6+
InChIKey DXQDYKOVBAEHLL-VOTSOKGWSA-N
Molecular Weight 237.299 g/mol
SMILES C1(N(C=C(C1=O)\C=C\C(=O)OC)C(C)C)(C)C
SPLASH splash10-00ku-0890000000-6605613259f0e7ca83e7
Source of Spectrum KC-1989-423-15
Synonyms Methyl (2E)-3-(1-isopropyl-5,5-dimethyl-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)-2-propenoate Methyl 3-(1,2-dihydro-1-isopropyl-2,2-dimethyl-3-oxo-3H-pyrrol-4-yl)propenoate
Wiley ID 1239561