| SpectraBase Spectrum ID |
3jlcc7bqb11 |
| Name |
Anti-(1R,3S)-3-[(1S,4R)-2-oxobornane-10-sulfenyl]-1-phenyl-1-hexanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.212301442 u |
| Formula |
C22H32O2S |
| InChI |
InChI=1S/C22H32O2S/c1-4-8-18(14-19(23)16-9-6-5-7-10-16)25-15-22-12-11-17(13-20(22)24)21(22,2)3/h5-7,9-10,17-19,23H,4,8,11-15H2,1-3H3/t17-,18+,19-,22-/m1/s1 |
| InChIKey |
IKVOSKSQNGVUHT-VQQMMKBISA-N |
| Molecular Weight |
360.556 g/mol |
| SMILES |
[C@@](C[C@](CCC)(SC[C@]12C(C[C@@](CC2)(C1(C)C)[H])=O)[H])(O)(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876483 |
![Anti-(1R,3S)-3-[(1S,4R)-2-oxobornane-10-sulfenyl]-1-phenyl-1-hexanol](/api/spectrum/3jlcc7bqb11/structure.png?h=300&w=458 "Anti-(1R,3S)-3-[(1S,4R)-2-oxobornane-10-sulfenyl]-1-phenyl-1-hexanol")
