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Benzoic acid, 3-methoxy-, eicosyl ester
SpectraBase Compound ID 84BlJG608Xu
InChI InChI=1S/C28H48O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-28(29)26-22-21-23-27(25-26)30-2/h21-23,25H,3-20,24H2,1-2H3
InChIKey MOUJEWHOMGMKIG-UHFFFAOYSA-N
Mol Weight 432.7 g/mol
Molecular Formula C28H48O3
Exact Mass 432.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSIe89MvNpS
Name Benzoic acid, 3-methoxy-, eicosyl ester
Alternate Name(s) Icosyl 3-methoxybenzoate 3-Methoxybenzoic acid arachyl ester 3-Methoxybenzoic acid eicosyl ester
CAS Registry Number 56954-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O3
InChI InChI=1S/C28H48O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-28(29)26-22-21-23-27(25-26)30-2/h21-23,25H,3-20,24H2,1-2H3
InChIKey MOUJEWHOMGMKIG-UHFFFAOYSA-N
Molecular Weight 432.689 g/mol
SMILES CCCCCCCCCCCCCCCCCCCCOC(c1cccc(c1)OC)=O
SPLASH splash10-0udi-0900000000-0d1036ec571c4c77cb53
Source of Spectrum W5-34951-30585-30585
Wiley ID 1382504