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2-Pentenoic acid, 5-(2-methyl-4-oxo-2-cyclopenten-1-yl)-, methyl ester, (E)-(.+-.)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Pentenoic acid, 5-(2-methyl-4-oxo-2-cyclopenten-1-yl)-, methyl ester, (E)-(.+-.)-
SpectraBase Compound ID BoMcClOG1TW
InChI InChI=1S/C12H16O3/c1-9-7-11(13)8-10(9)5-3-4-6-12(14)15-2/h4,6-7,10H,3,5,8H2,1-2H3/b6-4+
InChIKey SOSNXYFJAKUXKH-GQCTYLIASA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5fHLnTCL4r
Name 2-Pentenoic acid, 5-(2-methyl-4-oxo-2-cyclopenten-1-yl)-, methyl ester, (E)-(.+-.)-
CAS Registry Number 77407-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-9-7-11(13)8-10(9)5-3-4-6-12(14)15-2/h4,6-7,10H,3,5,8H2,1-2H3/b6-4+
InChIKey SOSNXYFJAKUXKH-GQCTYLIASA-N
Molecular Weight 208.257 g/mol
SMILES C1(=CC(=O)CC1CC\C=C\C(=O)OC)C
SPLASH splash10-052b-9500000000-dc19b67e0504e5974f8d
Source of Spectrum F-42-3286-0
Synonyms Methyl (2E)-5-(2-methyl-4-oxo-2-cyclopenten-1-yl)-2-pentenoate Methyl(E)-5-(2-methyl-4-oxo-2-cyclopentenyl)-2-pentenoate
Wiley ID 1206871