| SpectraBase Spectrum ID |
3OpTlzHoVl6 |
| Name |
(p-Tolylsulfonyl)acetic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.061280101 u |
| Formula |
C11H14O4S |
| InChI |
InChI=1S/C11H14O4S/c1-3-15-11(12)8-16(13,14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChIKey |
VDXYJUBMHZEPOQ-UHFFFAOYSA-N |
| Molecular Weight |
242.289 g/mol |
| SMILES |
C=1C(=CC=C(C1)C)S(=O)(=O)CC(OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.958325 |
