| SpectraBase Spectrum ID |
JHXq4y7eOEo |
| Name |
3-(Benzenesulfonyl)propanoic 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/c1-2-15-11(12)8-9-16(13,14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey |
NPNHCYWSZYRMEL-UHFFFAOYSA-N |
| Molecular Weight |
242.289 g/mol |
| SMILES |
C(S(=O)(=O)C1=CC=CC=C1)CC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903506 |
