| SpectraBase Compound ID | 4cmVyXbd7L1 |
|---|---|
| InChI | InChI=1S/C10H15NS/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8,11H,3-4H2,1-2H3 |
| InChIKey | MJSPKLXARJQCNN-UHFFFAOYSA-N |
| Mol Weight | 181.3 g/mol |
| Molecular Formula | C10H15NS |
| Exact Mass | 181.092521 g/mol |
| SpectraBase Spectrum ID | EPdukIXYMvJ |
|---|---|
| Name | o-Ethylmercapto-N-ethylaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.092520661 u |
| Formula | C10H15NS |
| InChI | InChI=1S/C10H15NS/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8,11H,3-4H2,1-2H3 |
| InChIKey | MJSPKLXARJQCNN-UHFFFAOYSA-N |
| Molecular Weight | 181.297 g/mol |
| SMILES | C=1(C(SCC)=CC=CC1)NCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838859 |