For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Hexenoic acid, 6-(4-nitrophenyl)-4-oxo-, methyl ester, (E)-
SpectraBase Compound ID 7AFzLeWT7JQ
InChI InChI=1S/C13H13NO5/c1-19-13(16)9-8-12(15)7-4-10-2-5-11(6-3-10)14(17)18/h2-7H,8-9H2,1H3/b7-4+
InChIKey KPHDRLOMIRHCGQ-QPJJXVBHSA-N
Mol Weight 263.25 g/mol
Molecular Formula C13H13NO5
Exact Mass 263.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JcysWGeTd0i
Name 5-Hexenoic acid, 6-(4-nitrophenyl)-4-oxo-, methyl ester, (E)-
CAS Registry Number 85846-75-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO5
InChI InChI=1S/C13H13NO5/c1-19-13(16)9-8-12(15)7-4-10-2-5-11(6-3-10)14(17)18/h2-7H,8-9H2,1H3/b7-4+
InChIKey KPHDRLOMIRHCGQ-QPJJXVBHSA-N
Molecular Weight 263.249 g/mol
SMILES c1(N(=O)=O)ccc(\C=C\C(=O)CCC(=O)OC)cc1
SPLASH splash10-004i-5900000000-6c430af784d279b20883
Source of Spectrum F-38-2393-0
Synonyms Methyl (5E)-6-(4-nitrophenyl)-4-oxo-5-hexenoate Methyl (E)-6-(4-nitrophenyl)-4-oxo-5-hexenoate
Wiley ID 1266782