| SpectraBase Spectrum ID |
LcgfxPSGK9n |
| Name |
(1R,5S)-3-Methyl-3-(phenylsulfonyl)-6-thiabicyclo[3.1.0]hexane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.043522037 u |
| Formula |
C12H14O2S2 |
| InChI |
InChI=1S/C12H14O2S2/c1-12(7-10-11(8-12)15-10)16(13,14)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+,12- |
| InChIKey |
UZSUBEMMUMMBPB-ZSBIGDGJSA-N |
| Molecular Weight |
254.362 g/mol |
| SMILES |
[C@]1(S(=O)(=O)C2=CC=CC=C2)(C[C@@]2([H])[C@](S2)(C1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92297 |
![(1R,5S)-3-methyl-3-(phenylsulfonyl)-6-thiabicyclo[3.1.0]hexane](/api/spectrum/LcgfxPSGK9n/structure.png?h=300&w=458 "(1R,5S)-3-methyl-3-(phenylsulfonyl)-6-thiabicyclo[3.1.0]hexane")
