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Heptanoic acid, docosyl ester
SpectraBase Compound ID 14BUbotlvBM
InChI InChI=1S/C29H58O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31-29(30)27-25-8-6-4-2/h3-28H2,1-2H3
InChIKey WDZPYIWWSYMCGM-UHFFFAOYSA-N
Mol Weight 438.8 g/mol
Molecular Formula C29H58O2
Exact Mass 438.443681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVzF5yV4VVl
Name Heptanoic acid, docosyl ester
Alternate Name(s) Docosyl heptanoate Enanthic acid behenyl ester N-Docosyl N-heptanoate Heptanoic acid docosyl ester
CAS Registry Number 55320-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H58O2
InChI InChI=1S/C29H58O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31-29(30)27-25-8-6-4-2/h3-28H2,1-2H3
InChIKey WDZPYIWWSYMCGM-UHFFFAOYSA-N
Molecular Weight 438.781 g/mol
SMILES C(COC(CCCCCC)=O)CCCCCCCCCCCCCCCCCCCC
SPLASH splash10-001i-9600000000-a3069a460c8df74e9815
Source of Spectrum AD-0-1937-0
Wiley ID 59972