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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 D0iUzhBm9kx
Name Isovaleric acid, tridecyl ester
Classification Fatty alcohol esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 284.271530397 u
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
Molecular Weight 284.484 g/mol
Number of Peaks 26
SMILES C(CC(C)C)(=O)OCCCCCCCCCCCCC
SPLASH splash10-0zg3-9600000000-086397bb081f919411c0
Source of Spectrum FF-29-257-257_3 (DOI: 10.1002/ffj.3205)
Synonyms Tridecyl 3-methylbutanoate 3-Methylbutanoic acid tridecyl ester
Wiley ID 1775718