| SpectraBase Compound ID | AE7v6c4i0pb |
|---|---|
| InChI | InChI=1S/C14H11NOS/c1-8-9(2)14-13(7-11(8)16)17-12-6-4-3-5-10(12)15-14/h3-7H,1-2H3 |
| InChIKey | HUPHNKJOBUKSOA-UHFFFAOYSA-N |
| Mol Weight | 241.31 g/mol |
| Molecular Formula | C14H11NOS |
| Exact Mass | 241.056135 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7YEErfDwnDo |
|---|---|
| Name | 1,2-Dimethyl-3H-phenothiazin-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.056135151 u |
| Formula | C14H11NOS |
| InChI | InChI=1S/C14H11NOS/c1-8-9(2)14-13(7-11(8)16)17-12-6-4-3-5-10(12)15-14/h3-7H,1-2H3 |
| InChIKey | HUPHNKJOBUKSOA-UHFFFAOYSA-N |
| Molecular Weight | 241.308 g/mol |
| SMILES | C1=C2C(=NC=3C=CC=CC3S2)C(C)=C(C)C1=O |
| Spectrum/Structure Validation Score (Raman) | 0.976186 |