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(1S,2R,6S,7R)-4-Phenyl-5-[(S)-4-tolylsulfinyl]tricyclo[5.2.1.0(2,6)]dec-4-en-3-one
SpectraBase Compound ID 4sCOxBkNdbx
InChI InChI=1S/C23H22O2S/c1-14-7-11-18(12-8-14)26(25)23-20-17-10-9-16(13-17)19(20)22(24)21(23)15-5-3-2-4-6-15/h2-8,11-12,16-17,19-20H,9-10,13H2,1H3/t16-,17+,19+,20-,26?/m0/s1
InChIKey BQVUEDDLZUBTBV-KRIGIDJXSA-N
Mol Weight 362.49 g/mol
Molecular Formula C23H22O2S
Exact Mass 362.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7oi6iv0mjQ
Name (1S,2R,6S,7R)-4-Phenyl-5-[(S)-4-tolylsulfinyl]tricyclo[5.2.1.0(2,6)]dec-4-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O2S
InChI InChI=1S/C23H22O2S/c1-14-7-11-18(12-8-14)26(25)23-20-17-10-9-16(13-17)19(20)22(24)21(23)15-5-3-2-4-6-15/h2-8,11-12,16-17,19-20H,9-10,13H2,1H3/t16-,17+,19+,20-,26?/m0/s1
InChIKey BQVUEDDLZUBTBV-KRIGIDJXSA-N
Molecular Weight 362.487 g/mol
SMILES C1(=C(C(=O)[C@]2([C@@]1([C@]1(C[C@@]2(CC1)[H])[H])[H])[H])c1ccccc1)[S@](c1ccc(cc1)C)=O
SPLASH splash10-03di-0049000000-575f7e48475ece970990
Source of Spectrum QC-10-467-5
Synonyms (1R,2S,6R,7S)-4-Phenyl-5-[(S)-4-tolylsulfinyl]tricyclo[5.2.1.0(2,6)]dec-4-en-3-one (1S,2R,6S,7R)-5-[(4-methylphenyl)sulfinyl]-4-phenyltricyclo[5.2.1.0(2,6)]dec-4-en-3-one
Wiley ID 870994