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n-Octyl butyrate

View entire compound with spectra: 4 NMR, 10 FTIR, 1 Raman, and 11 MS (GC)

n-Octyl butyrate
SpectraBase Compound ID Ag2AktEIEoL
InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xaQ6yQgZgm
Name Butanoic acid, octyl ester
CAS Registry Number 110-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES CCCCCCCCOC(=O)CCC
SPLASH splash10-0596-9000000000-f357ab4d644dcc0c77c8
Source of Spectrum XW-228-0-0
Synonyms Butyric acid octyl ester n-Octyl butyrate n-Octyl n-butyrate Octyl butanoate Octyl butyrate AI3-24204 EINECS 203-762-4 FEMA NO. 2807 NSC 72032
Wiley ID 1197988