| SpectraBase Spectrum ID |
B0GD0QgR7IN |
| Name |
Ethyl ((2-(4-((4-fluorobenzyl)oxy)phenyl)-2-oxoethyl)sulfanyl)acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.098808425 u |
| Formula |
C19H19FO4S |
| InChI |
InChI=1S/C19H19FO4S/c1-2-23-19(22)13-25-12-18(21)15-5-9-17(10-6-15)24-11-14-3-7-16(20)8-4-14/h3-10H,2,11-13H2,1H3 |
| InChIKey |
XLHNASPYUGTGKZ-UHFFFAOYSA-N |
| Molecular Weight |
362.415 g/mol |
| SMILES |
C(=O)(OCC)CSCC(C1=CC=C(C=C1)OCC=1C=CC(=CC1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968402 |
