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Hexyl butyrate

View entire compound with spectra: 3 NMR, 11 FTIR, 1 Raman, and 19 MS (GC)

Hexyl butyrate
SpectraBase Compound ID 8KULEaryFRG
InChI InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChIKey XAPCMTMQBXLDBB-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xFP3fOG2DF
Name Butanoic acid, hexyl ester
Alternate Name(s) Butyric acid, hexyl ester 1-Hexyl butyrate Butyric acid hexyl ester Hexyl butanoate Hexyl butyrate n-Hexyl butanoate n-Hexyl butyrate n-Hexyl n-butanoate n-Hexyl n-butyrate Butanoic acid hexyl ester AI3-33290 BRN 1754469 EINECS 220-136-6 FEMA NO. 2568
CAS Registry Number 2639-63-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChIKey XAPCMTMQBXLDBB-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES CCCC(=O)OCCCCCC
SPLASH splash10-0a4l-9000000000-14671f90f9fe0c0098da
Source of Spectrum LQ-1992-1447-0
Wiley ID 1169040