| SpectraBase Compound ID | 2Sf5ETnM6BK |
|---|---|
| InChI | InChI=1S/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10) |
| InChIKey | QVKPPRYUGJFISN-UHFFFAOYSA-N |
| Mol Weight | 164.23 g/mol |
| Molecular Formula | C8H8N2S |
| Exact Mass | 164.040819 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AFprzZFmX5T |
|---|---|
| Name | 1,3-Benzothiazol-2-yl-methyl-amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.040819440 u |
| Formula | C8H8N2S |
| InChI | InChI=1S/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10) |
| InChIKey | QVKPPRYUGJFISN-UHFFFAOYSA-N |
| Molecular Weight | 164.226 g/mol |
| SMILES | C1=2N\C(SC1=CC=CC2)=N/C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919316 |