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docasanoic acid, methyl ester

View entire compound with spectra: 7 NMR, 6 FTIR, and 31 MS (GC)

docasanoic acid, methyl ester
SpectraBase Compound ID JvdPJ7WGyit
InChI InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
InChIKey QSQLTHHMFHEFIY-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 2wJ4UuDWF6
Name Docosanoic acid, methyl ester
Alternate Name(s) Behenic acid, methyl ester Methyl behenate Methyl docosanoate n-Docosanoic acid methyl ester Docosanoic acid methyl ester AI3-36456 EINECS 213-207-8 HSDB 2724 KEMESTER 9022 NSC 158426
CAS Registry Number 929-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H46O2
InChI InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
InChIKey QSQLTHHMFHEFIY-UHFFFAOYSA-N
Molecular Weight 354.619 g/mol
SMILES C(CCCCCCCCCCC(=O)OC)CCCCCCCCCC
SPLASH splash10-05ic-9100000000-8c7913be53f98d521ee8
Source of Spectrum FI-0-39-17
Wiley ID 1344969