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Hexyl hexanoate

View entire compound with spectra: 2 NMR, 6 FTIR, 1 Raman, and 21 MS (GC)

Hexyl hexanoate
SpectraBase Compound ID 5VTwlyuGojE
InChI InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3
InChIKey NCDCLPBOMHPFCV-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 CT9u1DFKdYP
Name Hexanoic acid, hexyl ester
CAS Registry Number 6378-65-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3
InChIKey NCDCLPBOMHPFCV-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES CCCCCCOC(=O)CCCCC
SPLASH splash10-052f-9100000000-b9a856bfdcdf1774fb5d
Source of Spectrum A-2-77-1
Synonyms Hexyl caproate Hexyl hexanoate Hexyl hexoate n-Hexyl caproate n-Hexyl hexanoate n-Hexyl n-hexanoate AI3-06035 BRN 1762037 EINECS 228-952-4 FEMA NO. 2572 NSC 53799
Wiley ID 1197975