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3-Heptenoic acid, methyl ester, (E)-
SpectraBase Compound ID McgOfnQzrj
InChI InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKey MELNJTLUIHVCHX-AATRIKPKSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1dLywRr9lo
Name 3-Heptenoic acid, methyl ester, (E)-
CAS Registry Number 50652-83-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKey MELNJTLUIHVCHX-AATRIKPKSA-N
Molecular Weight 142.198 g/mol
SMILES CCC\C=C\CC(=O)OC
SPLASH splash10-0awc-9100000000-57d5b7c646df04b10934
Source of Spectrum O-7-1029-2
Synonyms 3-Heptenoic acid, methyl ester Methyl (3E)-3-heptenoate (E)-3-heptenoic acid methyl ester (E)-hept-3-enoic acid methyl ester Methyl (E)-hept-3-enoate Methyl 3-heptenoate
Wiley ID 1140950