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Butanoic acid, 5-hexenyl ester

View entire compound with spectra: 2 MS (GC)

Butanoic acid, 5-hexenyl ester
SpectraBase Compound ID DzL86RYZgAu
InChI InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3H,1,4-9H2,2H3
InChIKey YLSXHHJLLXESHB-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29RzgaqHqkU
Name Butanoic acid, 5-hexenyl ester
CAS Registry Number 108058-75-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3H,1,4-9H2,2H3
InChIKey YLSXHHJLLXESHB-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
SMILES CCCC(=O)OCCCCC=C
SPLASH splash10-0g5c-9000000000-bcbe1c361d845bf85f86
Synonyms 5-Hexenyl butyrate Butanoic acid hex-5-enyl ester Butyric acid hex-5-enyl ester Hex-5-enyl butanoate
Wiley ID 1495495