SpectraBase Spectrum ID |
FaFAN4wnNqu |
Name |
(2R,3R,4S)-2-Ethyl-4-methyl-3-(phenylthio)oxolane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.107836373 u |
Formula |
C13H18OS |
InChI |
InChI=1S/C13H18OS/c1-3-12-13(10(2)9-14-12)15-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3/t10-,12+,13+/m0/s1 |
InChIKey |
HMPKMXIBTDKAIF-CYZMBNFOSA-N |
Molecular Weight |
222.346 g/mol |
SMILES |
[C@]1(SC2=CC=CC=C2)([C@](CO[C@@]1(CC)[H])(C)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888598 |