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Octadecanoic acid, propyl ester
SpectraBase Compound ID CibYYE8fNP4
InChI InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h3-20H2,1-2H3
InChIKey BTAXGNQLYFDKEF-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 AjzzeCS2yNt
Name Octadecanoic acid, propyl ester
Alternate Name(s) Propyl octadecanoate Propyl stearate stearic acid propyl ester AI3-31586 EINECS 222-855-0
CAS Registry Number 3634-92-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H42O2
InChI InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h3-20H2,1-2H3
InChIKey BTAXGNQLYFDKEF-UHFFFAOYSA-N
Molecular Weight 326.565 g/mol
SMILES C(=O)(OCCC)CCCCCCCCCCCCCCCCC
SPLASH splash10-0903-9210000000-316e37b3aac8b51cb769
Source of Spectrum Va-0-0-0
Wiley ID 742918