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Octanoic acid, 7-(diphenylphosphinyl)-6-hydroxy-, methyl ester, (R*,R*)-(.+-.)-
SpectraBase Compound ID Bshux8Ju4pz
InChI InChI=1S/C21H27O4P/c1-17(20(22)15-9-10-16-21(23)25-2)26(24,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,22H,9-10,15-16H2,1-2H3/t17-,20+/m1/s1
InChIKey BMSVVKVKNWBIPZ-XLIONFOSSA-N
Mol Weight 374.42 g/mol
Molecular Formula C21H27O4P
Exact Mass 374.164696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoNarHXIKG9
Name Octanoic acid, 7-(diphenylphosphinyl)-6-hydroxy-, methyl ester, (R*,R*)-(.+-.)-
CAS Registry Number 119106-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27O4P
InChI InChI=1S/C21H27O4P/c1-17(20(22)15-9-10-16-21(23)25-2)26(24,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,22H,9-10,15-16H2,1-2H3/t17-,20+/m1/s1
InChIKey BMSVVKVKNWBIPZ-XLIONFOSSA-N
Molecular Weight 374.417 g/mol
SMILES O[C@]([C@](P(=O)(c1ccccc1)c1ccccc1)(C)[H])(CCCCC(=O)OC)[H]
SPLASH splash10-0ue9-0090000000-608b0ed2f3b1ab4ea901
Source of Spectrum KC-1988-1805-14
Synonyms Methyl (6S,7R)-7-(diphenylphosphoryl)-6-hydroxyoctanoate Methyl[rS-(R,S)]-6-hydroxy-7-diphenylphosphinoyl-octanoate
Wiley ID 1356679