| SpectraBase Compound ID | 6JZKFOQoE5N |
|---|---|
| InChI | InChI=1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3 |
| InChIKey | LSMMRJUHLKJNLR-UHFFFAOYSA-N |
| Mol Weight | 165.21 g/mol |
| Molecular Formula | C8H7NOS |
| Exact Mass | 165.024835 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | G9qG2P2AmdM |
|---|---|
| Name | 3-Methyl-2-benzothiazolinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.024835022 u |
| Formula | C8H7NOS |
| InChI | InChI=1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3 |
| InChIKey | LSMMRJUHLKJNLR-UHFFFAOYSA-N |
| Molecular Weight | 165.210 g/mol |
| SMILES | C=12C=CC=CC1SC(N2C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.81933 |