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(1S,2R,6S,7R)-4-Butyl-5-[(S)-4-tolylsulfinyl]tricyclo[5.2.1.0(2,6)]dec-4-en-3-one

View entire compound with spectra: 1 MS (GC)

(1S,2R,6S,7R)-4-Butyl-5-[(S)-4-tolylsulfinyl]tricyclo[5.2.1.0(2,6)]dec-4-en-3-one
SpectraBase Compound ID FkMTU274qv0
InChI InChI=1S/C21H26O2S/c1-3-4-5-17-20(22)18-14-8-9-15(12-14)19(18)21(17)24(23)16-10-6-13(2)7-11-16/h6-7,10-11,14-15,18-19H,3-5,8-9,12H2,1-2H3/t14-,15+,18+,19-,24?/m0/s1
InChIKey NTENXNKFEJYXRS-GHFANORRSA-N
Mol Weight 342.5 g/mol
Molecular Formula C21H26O2S
Exact Mass 342.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dv9L8Mhz4P
Name (1S,2R,6S,7R)-4-Butyl-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 C21H26O2S
InChI InChI=1S/C21H26O2S/c1-3-4-5-17-20(22)18-14-8-9-15(12-14)19(18)21(17)24(23)16-10-6-13(2)7-11-16/h6-7,10-11,14-15,18-19H,3-5,8-9,12H2,1-2H3/t14-,15+,18+,19-,24?/m0/s1
InChIKey NTENXNKFEJYXRS-GHFANORRSA-N
Molecular Weight 342.497 g/mol
SMILES C1(=C(C(=O)[C@]2([C@@]1([C@]1(C[C@@]2(CC1)[H])[H])[H])[H])CCCC)[S@](c1ccc(cc1)C)=O
SPLASH splash10-004i-0019000000-8665aab9cfd7af1950c1
Source of Spectrum QC-10-465-5
Synonyms (1S,2R,6S,7R)-4-butyl-5-[(4-methylphenyl)sulfinyl]tricyclo[5.2.1.0(2,6)]dec-4-en-3-one
Wiley ID 870995