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decanoic acid, isobutyl ester

View entire compound with spectra: 4 NMR, 2 FTIR, and 5 MS (GC)

decanoic acid, isobutyl ester
SpectraBase Compound ID KdYmH28UdjR
InChI InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
InChIKey AXTPGRJJIGEOOY-UHFFFAOYSA-N
Mol Weight 228.38 g/mol
Molecular Formula C14H28O2
Exact Mass 228.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9147xLUZSw
Name Isobutyl decanoate
Alternate Name(s) 2-Methylpropyl decanoate capric acid isobutyl ester decanoic acid 2-methylpropyl ester Decanoic acid, isobutyl ester n-Capric acid isobutyl ester AI3-33574 EINECS 250-281-0
CAS Registry Number 30673-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
InChIKey AXTPGRJJIGEOOY-UHFFFAOYSA-N
Molecular Weight 228.376 g/mol
SMILES C(=O)(OCC(C)C)CCCCCCCCC
SPLASH splash10-0a4i-9300000000-c89f85cc10e9fbc813d1
Source of Spectrum UT-1990-1120-0
Wiley ID 152833