| SpectraBase Spectrum ID |
IMTA3n10dIy |
| Name |
(1S,3R)-1,3-Dimethyl-3-phenylsulfanylpropyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.102750992 u |
| Formula |
C13H18O2S |
| InChI |
InChI=1S/C13H18O2S/c1-10(15-12(3)14)9-11(2)16-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3/t10-,11+/m0/s1 |
| InChIKey |
SIXLJZCSLGTLMK-WDEREUQCSA-N |
| Molecular Weight |
238.345 g/mol |
| SMILES |
C(O[C@](C[C@](SC=1C=CC=CC1)(C)[H])(C)[H])(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859091 |
