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Eicosanoic acid, 6-(diphenylphosphinyl)-5-oxo-, (.+-.)-
SpectraBase Compound ID 4t6XJVfs2l3
InChI InChI=1S/C32H47O4P/c1-2-3-4-5-6-7-8-9-10-11-12-19-26-31(30(33)25-20-27-32(34)35)37(36,28-21-15-13-16-22-28)29-23-17-14-18-24-29/h13-18,21-24,31H,2-12,19-20,25-27H2,1H3,(H,34,35)
InChIKey JSHIQDVPIGNQAC-UHFFFAOYSA-N
Mol Weight 526.7 g/mol
Molecular Formula C32H47O4P
Exact Mass 526.321197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELf2zgRwsky
Name Eicosanoic acid, 6-(diphenylphosphinyl)-5-oxo-, (.+-.)-
Alternate Name(s) 6-(diphenylphosphoryl)-5-oxoicosanoic acid 6-Diphenylphosphinoyl-5-oxo-6-eicosanoic acid
CAS Registry Number 119106-48-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H47O4P
InChI InChI=1S/C32H47O4P/c1-2-3-4-5-6-7-8-9-10-11-12-19-26-31(30(33)25-20-27-32(34)35)37(36,28-21-15-13-16-22-28)29-23-17-14-18-24-29/h13-18,21-24,31H,2-12,19-20,25-27H2,1H3,(H,34,35)
InChIKey JSHIQDVPIGNQAC-UHFFFAOYSA-N
Molecular Weight 526.698 g/mol
SMILES OC(CCCC(C(P(=O)(c1ccccc1)c1ccccc1)CCCCCCCCCCCCCC)=O)=O
SPLASH splash10-0udi-0090000000-b86accbbeb62ea07cb52
Source of Spectrum KC-1988-1803-10
Wiley ID 1402865