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2,4,6-Heptatrienoic acid, methyl ester

View entire compound with spectra: 2 MS (GC)

2,4,6-Heptatrienoic acid, methyl ester
SpectraBase Compound ID 5gdDQ2N5731
InChI InChI=1S/C8H10O2/c1-3-4-5-6-7-8(9)10-2/h3-7H,1H2,2H3/b5-4+,7-6+
InChIKey INMLJEKOJCNLTL-YTXTXJHMSA-N
Mol Weight 138.17 g/mol
Molecular Formula C8H10O2
Exact Mass 138.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aKCFwKt780
Name 2,4,6-Heptatrienoic acid, methyl ester
CAS Registry Number 100378-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O2
InChI InChI=1S/C8H10O2/c1-3-4-5-6-7-8(9)10-2/h3-7H,1H2,2H3/b5-4+,7-6+
InChIKey INMLJEKOJCNLTL-YTXTXJHMSA-N
Molecular Weight 138.166 g/mol
SMILES C(=O)(\C=C\C=C\C=C)OC
SPLASH splash10-004i-9100000000-1695d9cd4fecd54637c6
Synonyms Methyl (2E,4E)-2,4,6-heptatrienoate (2E,4E)-hepta-2,4,6-trienoic acid methyl ester Methyl (2E,4E)-hepta-2,4,6-trienoate
Wiley ID 1494419