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(4R / S)-3-Methyl-4-(benzoylmethyl)-5-[(S-methyl-S-tolyl)sulfinyl]-2-cyclopenten-1-one
SpectraBase Compound ID 2sqyRGaiVB9
InChI InChI=1S/C21H20O3S/c1-14-8-10-17(11-9-14)25(24)21-18(15(2)12-20(21)23)13-19(22)16-6-4-3-5-7-16/h3-12,18,21H,13H2,1-2H3/t18-,21+,25?/m0/s1
InChIKey FZTHXLIXJCRFBI-BBRSIGJESA-N
Mol Weight 352.45 g/mol
Molecular Formula C21H20O3S
Exact Mass 352.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JVIFRoDEv
Name (4S,5R)-5-((R)-2,4-Dimethyl-benzenesulfinyl)-3-methyl-4-(2-oxo-2-phenyl-ethyl)-cyclopent-2-enone
Alternate Name(s) (4S / R)-3-Methyl-4-(benzoylmethyl)-5-[(S-methyl-S-tolyl)sulfinyl]-2-cyclopenten-1-one (4S,5R)-3-methyl-5-[(4-methylphenyl)sulfinyl]-4-(2-oxo-2-phenylethyl)-2-cyclopenten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O3S
InChI InChI=1S/C21H20O3S/c1-14-8-10-17(11-9-14)25(24)21-18(15(2)12-20(21)23)13-19(22)16-6-4-3-5-7-16/h3-12,18,21H,13H2,1-2H3/t18-,21+,25?/m0/s1
InChIKey FZTHXLIXJCRFBI-BBRSIGJESA-N
Molecular Weight 352.448 g/mol
SMILES [C@@]1([C@](C(C)=CC1=O)(CC(=O)c1ccccc1)[H])([S@](c1ccc(cc1)C)=O)[H]
SPLASH splash10-0cg0-4594000000-224930f6e0d23818a397
Source of Spectrum D1-2002-1248-8
Wiley ID 1548142