| SpectraBase Compound ID | 71pG0SuYgtf |
|---|---|
| InChI | InChI=1S/C13H10ClNO2S/c1-17-11-5-9-13(6-10(11)16)18-12-4-7(14)2-3-8(12)15-9/h2-6,15-16H,1H3 |
| InChIKey | ABTKCGNBISWJGQ-UHFFFAOYSA-N |
| Mol Weight | 279.74 g/mol |
| Molecular Formula | C13H10ClNO2S |
| Exact Mass | 279.012077 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Go9Cas6LLpc |
|---|---|
| Name | 7-Chloro-2-methoxyphenothiazin-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.012077438 u |
| Formula | C13H10ClNO2S |
| InChI | InChI=1S/C13H10ClNO2S/c1-17-11-5-9-13(6-10(11)16)18-12-4-7(14)2-3-8(12)15-9/h2-6,15-16H,1H3 |
| InChIKey | ABTKCGNBISWJGQ-UHFFFAOYSA-N |
| SMILES | OC=1C(=CC=2NC=3C=CC(Cl)=CC3SC2C1)OC |
| Spectrum/Structure Validation Score (Raman) | 0.843475 |