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Hexyl isovalerate

View entire compound with spectra: 2 NMR, 3 FTIR, and 6 MS (GC)

Hexyl isovalerate
SpectraBase Compound ID IQUub3qWwF7
InChI InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChIKey RSDDTPVXLMVLQE-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JBdXJ0KYVO
Name Hexyl 3-methylbutanoate
Alternate Name(s) 3-Methylbutanoic acid hexyl ester 3-Methylbutyric acid hexyl ester Butanoic acid, 3-methyl-, hexyl ester Hexyl isopentanoate Hexyl isovalerate Hexyl isovalerianate Hexyl isovaleriate Isovaleric acid, hexyl ester n-Hexyl iso-valerate n-Hexyl isopentanoate AI3-33585 BRN 1759161 EINECS 233-105-7 FEMA NO. 3500
CAS Registry Number 10032-13-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChIKey RSDDTPVXLMVLQE-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES CCCCCCOC(=O)CC(C)C
SPLASH splash10-0a4r-9200000000-779b38f0d2711f05af6b
Source of Spectrum UT-1990-749-0
Wiley ID 1183161