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Butanoic acid, 1-ethenylhexyl ester
SpectraBase Compound ID HVjAHYbPoSv
InChI InChI=1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3
InChIKey LZWFXVJBIZIHCH-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 6yJ0BnOdLnB
Name Butanoic acid, 1-ethenylhexyl ester
CAS Registry Number 16491-54-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3
InChIKey LZWFXVJBIZIHCH-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES CCCCCC(C=C)OC(=O)CCC
SPLASH splash10-0fxx-9000000000-0e34fa1def3ab7ca545e
Source of Spectrum XW-225-0-0
Synonyms Butyric acid, 1-pentylallyl ester 1-Pentyl-2-propenyl butyrate 1-Ethenylhexyl butanoate 1-Octen-3-yl butyrate 1-Pentylallyl butyrate 1-Vinylhexyl butanoate Amylvinylcarbinyl butyrate Butanoic acid oct-1-en-3-yl ester Butyric acid 1-amylallyl ester Butyric acid, 1-vinylhexyl ester Oct-1-en-3-yl butanoate AI3-33187 BRN 1935498 EINECS 240-555-8 FEMA NO. 3612
Wiley ID 1195779