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3-Methylbutyl hexadecanoate
SpectraBase Compound ID 1catYhJyDrI
InChI InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)23-19-18-20(2)3/h20H,4-19H2,1-3H3
InChIKey NXBIDOXPIIWDMX-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 16iMnO52eyl
Name 3-Methylbutyl hexadecanoate
CAS Registry Number 81974-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H42O2
InChI InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)23-19-18-20(2)3/h20H,4-19H2,1-3H3
InChIKey NXBIDOXPIIWDMX-UHFFFAOYSA-N
Molecular Weight 326.565 g/mol
SMILES CC(CCOC(CCCCCCCCCCCCCCC)=O)C
SPLASH splash10-00dl-9010000000-e0f35fc8a2d2ddddc568
Source of Spectrum W5-1989-36014-29522
Synonyms 3-Methylbutyl palmitate Hexadecanoic acid 3-methylbutyl ester Isopentyl hexadecanoate palmitic acid isoamyl ester EINECS 279-864-8
Wiley ID 1325172