| SpectraBase Spectrum ID |
GkPKRBYQbca |
| Name |
(2R,3R,4S)-2-Isobutyl-4-methyl-3-(phenylthio)tetrahydrofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.139136501 u |
| Formula |
C15H22OS |
| InChI |
InChI=1S/C15H22OS/c1-11(2)9-14-15(12(3)10-16-14)17-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3/t12-,14+,15+/m0/s1 |
| InChIKey |
KMIDRMIZSOBKGV-NWANDNLSSA-N |
| Molecular Weight |
250.400 g/mol |
| SMILES |
[C@]1([C@](OC[C@@]1(C)[H])(CC(C)C)[H])(SC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897613 |
