For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1R,2S,6R,7S)-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)

(1R,2S,6R,7S)-4-Butyl-5-[(S)-4-tolylsulfinyl]tricyclo[5.2.1.0(2,6)]dec-4-en-3-one
SpectraBase Compound ID 2tkslB1i3zh
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?/m1/s1
InChIKey NTENXNKFEJYXRS-ODVBRKSTSA-N
Mol Weight 342.5 g/mol
Molecular Formula C21H26O2S
Exact Mass 342.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7eYDfLzGIey
Name (1R,2S,6R,7S)-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?/m1/s1
InChIKey NTENXNKFEJYXRS-ODVBRKSTSA-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-0019000000-64a5a25161bc3e70f611
Source of Spectrum QC-10-465-5
Synonyms (1R,2S,6R,7S)-4-butyl-5-[(4-methylphenyl)sulfinyl]tricyclo[5.2.1.0(2,6)]dec-4-en-3-one
Wiley ID 870996