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Hexanoic acid isobutyl ester

View entire compound with spectra: 6 NMR, 11 FTIR, 1 Raman, and 16 MS (GC)

Hexanoic acid isobutyl ester
SpectraBase Compound ID 6rV34nbm0ks
InChI InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GlDrMMq8Xq5
Name ISOBUTYL HEXANOATE
Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
CAS Registry Number 105-79-3
Compound Type Pure
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Density 0.856
FEMA Number 2202
Flash Point 76C
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N
Molecular Weight 172.27
Synonyms BUTYL ISO HEXANOATE HEXANOIC ACID, ISOBUTYL ESTER 2-METHYL-1-PROPYL HEXANOATE 2-METHYL-1-PROPYL CAPROATE ISOBUTYL CAPROATE BUTYL ISO CAPROATE
Technique CAPILLARY CELL: NEAT