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Isovaleric acid, octadecyl ester

View entire compound with spectra: 1 MS (GC)

Isovaleric acid, octadecyl ester
SpectraBase Compound ID LJicqHJa1tG
InChI InChI=1S/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)21-22(2)3/h22H,4-21H2,1-3H3
InChIKey PMHFPTSIKAVTHL-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C23H46O2
Exact Mass 354.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XSb4NWANrz
Name Isovaleric acid, octadecyl ester
Alternate Name(s) Octadecyl 3-Methylbutanoate 3-Methylbutanoic acid octadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H46O2
InChI InChI=1S/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)21-22(2)3/h22H,4-21H2,1-3H3
InChIKey PMHFPTSIKAVTHL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.201300106
Molecular Weight 354.619 g/mol
SMILES C(CC(C)C)(=O)OCCCCCCCCCCCCCCCCCC
SPLASH splash10-0udi-7910000000-916e02629a42cfd15405
Source of Spectrum CBD-10-1217-2d
Wiley ID 1771211