| SpectraBase Compound ID | L267NEIfnLK |
|---|---|
| InChI | InChI=1S/C9H9NO2S/c11-6-5-10-7-3-1-2-4-8(7)13-9(10)12/h1-4,11H,5-6H2 |
| InChIKey | WBUHYKDOHNEIEL-UHFFFAOYSA-N |
| Mol Weight | 195.24 g/mol |
| Molecular Formula | C9H9NO2S |
| Exact Mass | 195.0354 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3eMcpKhzbh |
|---|---|
| Name | 3-(2-Hydroxyethyl)-2-benzothiazolinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.035399706 u |
| Formula | C9H9NO2S |
| InChI | InChI=1S/C9H9NO2S/c11-6-5-10-7-3-1-2-4-8(7)13-9(10)12/h1-4,11H,5-6H2 |
| InChIKey | WBUHYKDOHNEIEL-UHFFFAOYSA-N |
| SMILES | OCCN1C=2C=CC=CC2SC1=O |
| Spectrum/Structure Validation Score (Raman) | 0.942504 |