| SpectraBase Compound ID | 1zdnLBlrVAi |
|---|---|
| InChI | InChI=1S/C10H12O4S/c1-14-10(11)7-8-15(12,13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | WWSDWMABULBZIZ-UHFFFAOYSA-N |
| Mol Weight | 228.26 g/mol |
| Molecular Formula | C10H12O4S |
| Exact Mass | 228.04563 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JBpFoap0z8H |
|---|---|
| Name | 3-(Phenylsulfonyl)propionic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.045630036 u |
| Formula | C10H12O4S |
| InChI | InChI=1S/C10H12O4S/c1-14-10(11)7-8-15(12,13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | WWSDWMABULBZIZ-UHFFFAOYSA-N |
| Molecular Weight | 228.262 g/mol |
| SMILES | C=1C(=CC=CC1)S(=O)(=O)CCC(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.756848 |