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(1'RS,2SR,2'E,2''EZ,3SR)-3-[3'-(diphenylphosphinoyl)-1'-methylprop-2'-enyl]-2-methyl-2-[4''-(phenylsulfonyl)but-2''-enyl]cyclopentanone
SpectraBase Compound ID KIrSfsjYnZr
InChI InChI=1S/C32H35O4PS/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/h3-19,22,24,26,30H,20-21,23,25H2,1-2H3/b13-12+,24-22+/t26-,30-,32-/m1/s1
InChIKey KPLVUDQPIXSUML-OIQVUWDRSA-N
Mol Weight 546.7 g/mol
Molecular Formula C32H35O4PS
Exact Mass 546.199368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0o99BA2GKQ
Name (1'RS,2SR,2'E,2''EZ,3SR)-3-[3'-(diphenylphosphinoyl)-1'-methylprop-2'-enyl]-2-methyl-2-[4''-(phenylsulfonyl)but-2''-enyl]cyclopentanone
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Formula C32H35O4PS
InChI InChI=1S/C32H35O4PS/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/h3-19,22,24,26,30H,20-21,23,25H2,1-2H3/b13-12+,24-22+/t26-,30-,32-/m1/s1
InChIKey KPLVUDQPIXSUML-OIQVUWDRSA-N
Molecular Weight 546.662 g/mol
SMILES c1(S(=O)(=O)C\C=C\C[C@@]2([C@](CCC2=O)([C@@](\C=C\P(=O)(c2ccccc2)c2ccccc2)(C)[H])[H])C)ccccc1
SPLASH splash10-0zi0-9580100000-1fd192ebfc4efae2ae37
Source of Spectrum B-48-491-0
Synonyms (1'RS,2SR,2'E,2''eZ,3SR)-3-[3'-(diphenylphosphinoyl)-1'-methylprop-2'-enyl]-2-methyl-2-[4''-(phenylsulfonyl)but-2''-enyl]cyclopentanone
Wiley ID 1371832