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Docosanoic acid, 4,4-dimethyl-, methyl ester

View entire compound with spectra: 1 NMR, and 3 MS (GC)

Docosanoic acid, 4,4-dimethyl-, methyl ester
SpectraBase Compound ID FGaQEGV0Yer
InChI InChI=1S/C25H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2,3)23-21-24(26)27-4/h5-23H2,1-4H3
InChIKey PHEXLZJBYAKLTC-UHFFFAOYSA-N
Mol Weight 382.7 g/mol
Molecular Formula C25H50O2
Exact Mass 382.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41n8LB3DnTP
Name Docosanoic acid, 4,4-dimethyl-, methyl ester
CAS Registry Number 55334-81-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H50O2
InChI InChI=1S/C25H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2,3)23-21-24(26)27-4/h5-23H2,1-4H3
InChIKey PHEXLZJBYAKLTC-UHFFFAOYSA-N
Molecular Weight 382.673 g/mol
SMILES C(CCC(CCCCCCCCCCCCCCCCCC)(C)C)(=O)OC
SPLASH splash10-004r-9700000000-97e69705015c544e4403
Source of Spectrum JX-2015-6-8427
Synonyms Methyl 4,4-dimethyldocosanoate 4,4-Dimethylbehenic acid methyl ester 4,4-Dimethyldocosanoic acid methyl ester
Wiley ID 1729925