| SpectraBase Spectrum ID |
KJZfBFE3w32 |
| Name |
(2R,6R)-2,6-Dimethyl-4-(phenylsulfonyl)tetrahydro-2H-thiopyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.074822166 u |
| Formula |
C13H18O2S2 |
| InChI |
InChI=1S/C13H18O2S2/c1-10-8-13(9-11(2)16-10)17(14,15)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10-,11-/m1/s1 |
| InChIKey |
KTTMYLDABWMSPZ-GHMZBOCLSA-N |
| SMILES |
[C@@]1(CC(C[C@](S1)(C)[H])S(=O)(=O)C=1C=CC=CC1)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87819 |
