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Tridecyl 3-methylbutanoate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Tridecyl 3-methylbutanoate
SpectraBase Compound ID 9MbLLsqEMwb
InChI InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-18(19)16-17(2)3/h17H,4-16H2,1-3H3
InChIKey ZNCKBCVQPBJHCO-UHFFFAOYSA-N
Mol Weight 284.5 g/mol
Molecular Formula C18H36O2
Exact Mass 284.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2V7qWlBdx2
Name Isovaleric acid, tridecyl ester
Alternate Name(s) Tridecyl 3-methylbutanoate 3-Methylbutanoic acid tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36O2
InChI InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-18(19)16-17(2)3/h17H,4-16H2,1-3H3
InChIKey ZNCKBCVQPBJHCO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ffj.3205
Molecular Weight 284.484 g/mol
SMILES C(CC(C)C)(=O)OCCCCCCCCCCCCC
SPLASH splash10-0zg3-9600000000-086397bb081f919411c0
Source of Spectrum FF-29-257-257_3
Wiley ID 1775718