| SpectraBase Compound ID | IeS881cucor |
|---|---|
| InChI | InChI=1S/C9H13NS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3 |
| InChIKey | UMURWDSHMNEMOR-UHFFFAOYSA-N |
| Mol Weight | 167.27 g/mol |
| Molecular Formula | C9H13NS |
| Exact Mass | 167.076871 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JE1P8srPZd4 |
|---|---|
| Name | 4-Methylthiophenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.076870597 u |
| Formula | C9H13NS |
| InChI | InChI=1S/C9H13NS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3 |
| InChIKey | UMURWDSHMNEMOR-UHFFFAOYSA-N |
| Molecular Weight | 167.270 g/mol |
| SMILES | C1(=CC=C(C=C1)SC)CCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862945 |