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2-Benzoyloctadecanoic acid methyl ester
SpectraBase Compound ID 29oBNGojrIf
InChI InChI=1S/C26H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26(28)29-2)25(27)23-20-17-16-18-21-23/h16-18,20-21,24H,3-15,19,22H2,1-2H3
InChIKey PBVZHLVCFFNSMF-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELZ2fbgGWx2
Name 2-Benzoyloctadecanoic acid methyl ester
Alternate Name(s) 2-Benzoylstearic acid methyl ester Methyl 2-(phenylcarbonyl)octadecanoate Methyl 2-benzoyloctadecanoate
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Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26(28)29-2)25(27)23-20-17-16-18-21-23/h16-18,20-21,24H,3-15,19,22H2,1-2H3
InChIKey PBVZHLVCFFNSMF-UHFFFAOYSA-N
Molecular Weight 402.619 g/mol
SMILES C(C(=O)c1ccccc1)(C(=O)OC)CCCCCCCCCCCCCCCC
SPLASH splash10-0a4i-0900000000-f04a5044004ccbb65710
Source of Spectrum J-60-1094-0
Wiley ID 1370626