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Hexadecyl 3-methylbutanoate

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Hexadecyl 3-methylbutanoate
SpectraBase Compound ID GE4m1Cwvma6
InChI InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(22)19-20(2)3/h20H,4-19H2,1-3H3
InChIKey QYRYSLYGHFUKQV-UHFFFAOYSA-N
Mol Weight 326.6 g/mol
Molecular Formula C21H42O2
Exact Mass 326.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gtJci5vSHl
Name Butanoic acid, 3-methyl-, hexadecyl ester
CAS Registry Number 55334-36-6
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 326.318480590 u
Formula C21H42O2
InChI InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(22)19-20(2)3/h20H,4-19H2,1-3H3
InChIKey QYRYSLYGHFUKQV-UHFFFAOYSA-N
Molecular Weight 326.565 g/mol
Number of Peaks 25
SMILES C(CC(C)C)(=O)OCCCCCCCCCCCCCCCC
SPLASH splash10-0zg3-9500000000-5e44024e735bae38c056
Source of Spectrum FF-29-258-257_9 (DOI: 10.1002/ffj.3205)
Synonyms Hexadecyl 3-methylbutanoate 3-Methylbutanoic acid hexadecyl ester 3-Methylbutyric acid cetyl ester
Wiley ID 1775724