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Methyl (4E)-4-heptenoate
SpectraBase Compound ID KLnJTtqS8hQ
InChI InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h4-5H,3,6-7H2,1-2H3/b5-4+
InChIKey CVDVXDORDMZHRW-SNAWJCMRSA-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 94TCIipVhDG
Name methyl (E)-hept-4-enoate
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 142.099379689 u
Formula C8H14O2
GC Column HP-1 (50 m x 0.2 mm, film thickness 0.33 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h4-5H,3,6-7H2,1-2H3/b5-4+
InChIKey CVDVXDORDMZHRW-SNAWJCMRSA-N
Inlet Type Split (1:100)
Instrument Name Agilent 6890N-Agilent 5973N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202200817
Molecular Weight 142.198 g/mol
Quality 1000
SMILES C(\C=C\CCC(=O)OC)C
SPLASH splash10-01bc-9100000000-6e9640a199ca53fea47a
Source of Spectrum CBD-20-SM47-5a (DOI: 10.1002/cbdv.202200817)
Wiley ID 1901376