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heptanoic acid, hexadecyl ester

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

heptanoic acid, hexadecyl ester
SpectraBase Compound ID kSzyOzTS7A
InChI InChI=1S/C23H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-25-23(24)21-19-8-6-4-2/h3-22H2,1-2H3
InChIKey JUIGLBNFTGIOCS-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 C46zyY0OhzW
Name Hexadecyl heptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H46O2
InChI InChI=1S/C23H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-25-23(24)21-19-8-6-4-2/h3-22H2,1-2H3
InChIKey JUIGLBNFTGIOCS-UHFFFAOYSA-N
Molecular Weight 354.619 g/mol
SMILES C(CCCCCC)(=O)OCCCCCCCCCCCCCCCC
SPLASH splash10-001i-9500000000-b4339da7069f947cc51e
Source of Spectrum G-55-1553-0
Synonyms enanthic acid cetyl ester Heptanoic acid hexadecyl ester
Wiley ID 748157