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2,4-Octadienoic acid, 3-methyl-, methyl ester
SpectraBase Compound ID Im5ayGCloFp
InChI InChI=1S/C10H16O2/c1-4-5-6-7-9(2)8-10(11)12-3/h6-8H,4-5H2,1-3H3/b7-6+,9-8+
InChIKey MYRXGNCFAFFBGH-BLHCBFLLSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbRc2dbWh3X
Name 2,4-Octadienoic acid, 3-methyl-, methyl ester
CAS Registry Number 91057-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-4-5-6-7-9(2)8-10(11)12-3/h6-8H,4-5H2,1-3H3/b7-6+,9-8+
InChIKey MYRXGNCFAFFBGH-BLHCBFLLSA-N
Molecular Weight 168.236 g/mol
SMILES CCC\C=C\C(C)=C\C(=O)OC
SPLASH splash10-004i-8900000000-6e565dec860eb3d59d9e
Synonyms Methyl (2E,4E)-3-methyl-2,4-octadienoate (2E,4E)-3-methylocta-2,4-dienoic acid methyl ester Methyl (2E,4E)-3-methylocta-2,4-dienoate
Wiley ID 1489386