| SpectraBase Compound ID | 6biXXkVHl9n |
|---|---|
| InChI | InChI=1S/C9H9NOS/c1-10-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | SHUQPYGJXCEBIM-UHFFFAOYSA-N |
| Mol Weight | 179.24 g/mol |
| Molecular Formula | C9H9NOS |
| Exact Mass | 179.040485 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | zcwweb5Cnp |
|---|---|
| Name | 4-Methyl-2H-1,4-benzothiazin-3(4H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.040485087 u |
| Formula | C9H9NOS |
| InChI | InChI=1S/C9H9NOS/c1-10-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | SHUQPYGJXCEBIM-UHFFFAOYSA-N |
| Molecular Weight | 179.237 g/mol |
| SMILES | C=12C=CC=CC1SCC(N2C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.920117 |