| SpectraBase Compound ID | 2UIN448Q0Vd |
|---|---|
| InChI | InChI=1S/C9H9NOS2/c11-6-5-10-7-3-1-2-4-8(7)13-9(10)12/h1-4,11H,5-6H2 |
| InChIKey | DMSMCVJAYYDJHS-UHFFFAOYSA-N |
| Mol Weight | 211.3 g/mol |
| Molecular Formula | C9H9NOS2 |
| Exact Mass | 211.012556 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8343h3vUIG5 |
|---|---|
| Name | 3-(2-Hydroxethyl)-2-benzothiazolinethione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.012556261 u |
| Formula | C9H9NOS2 |
| InChI | InChI=1S/C9H9NOS2/c11-6-5-10-7-3-1-2-4-8(7)13-9(10)12/h1-4,11H,5-6H2 |
| InChIKey | DMSMCVJAYYDJHS-UHFFFAOYSA-N |
| Molecular Weight | 211.297 g/mol |
| SMILES | OCCN1C=2C=CC=CC2SC1=S |
| Spectrum/Structure Validation Score (Raman) | 0.97475 |