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(1'RS,2SR,2'E,3SR)-3-[3'-(diphenylphosphinoyl)-1'-methylprop-2'-enyl]-2-methyl-2-[4''-(phenylsulfonyl)but-2'-ynyl]cyclopentanone
SpectraBase Compound ID 5blNfplfEWm
InChI InChI=1S/C32H33O4PS/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/h3-11,14-19,22,24,26,30H,20-21,23,25H2,1-2H3/b24-22+/t26-,30-,32-/m1/s1
InChIKey XRGQDZNCKGSGFB-HKKWYBAQSA-N
Mol Weight 544.6 g/mol
Molecular Formula C32H33O4PS
Exact Mass 544.183718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24vYnYSfc8
Name (1'RS,2SR,2'E,3SR)-3-[3'-(diphenylphosphinoyl)-1'-methylprop-2'-enyl]-2-methyl-2-[4''-(phenylsulfonyl)but-2'-ynyl]cyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H33O4PS
InChI InChI=1S/C32H33O4PS/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/h3-11,14-19,22,24,26,30H,20-21,23,25H2,1-2H3/b24-22+/t26-,30-,32-/m1/s1
InChIKey XRGQDZNCKGSGFB-HKKWYBAQSA-N
Molecular Weight 544.646 g/mol
SMILES c1(S(=O)(=O)CC#CC[C@@]2([C@](CCC2=O)([C@@](\C=C\P(=O)(c2ccccc2)c2ccccc2)(C)[H])[H])C)ccccc1
SPLASH splash10-0zfr-3190500000-a39252739d4b78e32019
Source of Spectrum B-48-491-0
Synonyms (1'RS,2SR,2'E,3SR)-3-[3'-(diphenylphosphinoyl)-1'-methylprop-2'-enyl]-2-methyl-2-[4''-(phenylsulfonyl)but-2'-ynyl]cyclopentanone (2R,3R)-2-(4-Benzenesulfonyl-but-2-ynyl)-3-[(E)-(S)-3-(diphenyl-phosphinoyl)-1-methyl-allyl]-2-methyl-cyclopentanone 3-[(2E)-3-(diphenylphosphoryl)-1-methyl-2-propenyl]-2-methyl-2-[4-(phenylsulfonyl)-2-butynyl]cyclopentanone
Wiley ID 1405079