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(1'RS,2RS,3RS)- and (1'RS,2SR,3SR)-2-methyl-3-[1'-methyl-3'-(diphenylphosphinoyl)propyl]-2-[4''-(phenylsulfonyl)butyl]cyclpoentan-1-one (83:17 mixture)
SpectraBase Compound ID KYG1pOV7fvf
InChI InChI=1S/C32H39O4PS/c1-26(22-24-37(34,27-14-6-3-7-15-27)28-16-8-4-9-17-28)30-20-21-31(33)32(30,2)23-12-13-25-38(35,36)29-18-10-5-11-19-29/h3-11,14-19,26,30H,12-13,20-25H2,1-2H3
InChIKey MVBYLUAVZSEXIV-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C32H39O4PS
Exact Mass 550.230668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDF81EoMSGg
Name (1'RS,2RS,3RS)- and (1'RS,2SR,3SR)-2-methyl-3-[1'-methyl-3'-(diphenylphosphinoyl)propyl]-2-[4''-(phenylsulfonyl)butyl]cyclpoentan-1-one (83:17 mixture)
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Formula C32H39O4PS
InChI InChI=1S/C32H39O4PS/c1-26(22-24-37(34,27-14-6-3-7-15-27)28-16-8-4-9-17-28)30-20-21-31(33)32(30,2)23-12-13-25-38(35,36)29-18-10-5-11-19-29/h3-11,14-19,26,30H,12-13,20-25H2,1-2H3
InChIKey MVBYLUAVZSEXIV-UHFFFAOYSA-N
Molecular Weight 550.694 g/mol
SMILES c1(S(=O)(=O)CCCCC2(C(CCC2=O)C(CCP(=O)(c2ccccc2)c2ccccc2)C)C)ccccc1
SPLASH splash10-0v00-3192020000-1471e98575d2acbee945
Source of Spectrum B-48-491-0
Synonyms (1'RS,2RS,3RS)-3-[3'-(diphenylphosphinoyl)-1'-methylpropyl]-2-methyl-2-[4''-(phenylsulfonyl)butyl]cyclopentanone (1'RS,2RS,3RS)- and (1'RS,2SR,3SR)-2-methyl-3-[1'-methyl-3'-(diphenylphosphinoyl)propyl]-2-[4''-(phenylsulfonyl)butyl]cyclpoentan-1-one (83:17 mixture) (1'RS,2RS,3RS)-3-[3'-(diphenylphosphinoyl)-1'-methylpropyl]-2-methyl-2-[4''-(phenylsulfonyl)butyl]cyclopentanone 3-[3-(diphenylphosphoryl)-1-methylpropyl]-2-methyl-2-[4-(phenylsulfonyl)butyl]cyclopentanone
Wiley ID 1405757