| SpectraBase Compound ID | DKnfFrEaqj3 |
|---|---|
| InChI | InChI=1S/C8H8N2S/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5,10H,1H3 |
| InChIKey | LZFNJFRNIKZSTR-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 | B97Aq3A2LR0 |
|---|---|
| Name | 4-Thiocyanato-N-methylaniline |
| 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/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5,10H,1H3 |
| InChIKey | LZFNJFRNIKZSTR-UHFFFAOYSA-N |
| Molecular Weight | 164.226 g/mol |
| SMILES | C=1(NC)C=CC(=CC1)SC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960565 |