| SpectraBase Spectrum ID |
4nvUkKzf7CQ |
| Name |
(1-Benzylsulfanyl-3,3,3-trifluoro-propyl) acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.058835320 u |
| Formula |
C12H13F3O2S |
| InChI |
InChI=1S/C12H13F3O2S/c1-9(16)17-11(7-12(13,14)15)18-8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3 |
| InChIKey |
KHFWYNXFEHUQHN-UHFFFAOYSA-N |
| Molecular Weight |
278.289 g/mol |
| SMILES |
C(CC(OC(=O)C)SCC=1C=CC=CC1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835152 |
