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2-Methylpropyl octanoate

View entire compound with spectra: 6 MS (GC)

2-Methylpropyl octanoate
SpectraBase Compound ID 2klqkCU2u1H
InChI InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3
InChIKey CFQRBRGFNFRMBD-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 TUoaci8rA
Name 2-Methylpropyl octanoate
Alternate Name(s) caprylic acid isobutyl ester iso-Butyl caprylate iso-Butyl n-octanoate Isobutyl octanoate n-Caprylic acid isobutyl ester Octanoic acid 2-methylpropyl ester Octanoic acid, isobutyl ester
CAS Registry Number 5461-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3
InChIKey CFQRBRGFNFRMBD-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES CCCCCCCC(=O)OCC(C)C
SPLASH splash10-0a4i-9300000000-a6296a6096bf1658b0bb
Source of Spectrum NP-17-9432-0
Wiley ID 1103586