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2-Heptenoic acid, 3-methyl-, methyl ester
SpectraBase Compound ID 1WcQwfPGwMM
InChI InChI=1S/C9H16O2/c1-4-5-6-8(2)7-9(10)11-3/h7H,4-6H2,1-3H3/b8-7+
InChIKey HNWUSDMNZOAUQR-BQYQJAHWSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AMPMXnSRbD
Name 2-Heptenoic acid, 3-methyl-, methyl ester
CAS Registry Number 50652-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-4-5-6-8(2)7-9(10)11-3/h7H,4-6H2,1-3H3/b8-7+
InChIKey HNWUSDMNZOAUQR-BQYQJAHWSA-N
Molecular Weight 156.225 g/mol
SMILES C(\C=C\(CCCC)C)(=O)OC
SPLASH splash10-056u-9700000000-3b1e12ab8f62c7387d8f
Source of Spectrum JZ-1992-1346-0
Synonyms Methyl (2E)-3-methyl-2-heptenoate (E)-3-methyl-2-heptenoic acid methyl ester (E)-3-methylhept-2-enoic acid methyl ester Methyl (E)-3-methylhept-2-enoate Methyl 3-methylhept-2-enoate
Wiley ID 1153603