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Hexanoic acid, 5-hexenyl ester

View entire compound with spectra: 2 MS (GC)

Hexanoic acid, 5-hexenyl ester
SpectraBase Compound ID I1iBX8AmiAC
InChI InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3H,1,4-11H2,2H3
InChIKey LTHBRQQXKACRAP-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AO7wgZTO16V
Name Hexanoic acid, 5-hexenyl ester
CAS Registry Number 108058-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3H,1,4-11H2,2H3
InChIKey LTHBRQQXKACRAP-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES CCCCCC(=O)OCCCCC=C
SPLASH splash10-0fry-9000000000-895b7bd41a6f98d9f751
Synonyms 5-Hexenyl hexanoate Hex-5-enyl hexanoate Hexanoic acid hex-5-enyl ester
Wiley ID 1495556