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Octadecanoic acid, 9,12,13-trimethoxy-, methyl ester
SpectraBase Compound ID 6g9JZqxUdsJ
InChI InChI=1S/C22H44O5/c1-6-7-11-15-20(25-3)21(26-4)18-17-19(24-2)14-12-9-8-10-13-16-22(23)27-5/h19-21H,6-18H2,1-5H3
InChIKey FCJGXRGUSJGSOF-UHFFFAOYSA-N
Mol Weight 388.6 g/mol
Molecular Formula C22H44O5
Exact Mass 388.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fOwkv2MAKT
Name Octadecanoic acid, 9,12,13-trimethoxy-, methyl ester
Alternate Name(s) Methyl 9,12,13-trimethoxyoctadecanoate 9,12,13-trimethoxyoctadecanoic acid methyl ester 9,12,13-trimethoxystearic acid methyl ester
CAS Registry Number 55255-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44O5
InChI InChI=1S/C22H44O5/c1-6-7-11-15-20(25-3)21(26-4)18-17-19(24-2)14-12-9-8-10-13-16-22(23)27-5/h19-21H,6-18H2,1-5H3
InChIKey FCJGXRGUSJGSOF-UHFFFAOYSA-N
Molecular Weight 388.589 g/mol
SMILES C(C(CCC(CCCCCCCC(OC)=O)OC)OC)(CCCCC)OC
SPLASH splash10-006x-4590000000-5e152d1c45d2f4aa3f48
Source of Spectrum E-40-1842-2
Wiley ID 56077