| SpectraBase Compound ID | FLnbp2yMUBm |
|---|---|
| InChI | InChI=1S/C10H15NS/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3 |
| InChIKey | YKLKAPXRGFLJFK-UHFFFAOYSA-N |
| Mol Weight | 181.3 g/mol |
| Molecular Formula | C10H15NS |
| Exact Mass | 181.092521 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | VMFR0ZNRNV |
|---|---|
| Name | 2-(Benzylmethylaminno)ethanethiol |
| 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/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3 |
| InChIKey | YKLKAPXRGFLJFK-UHFFFAOYSA-N |
| Molecular Weight | 181.297 g/mol |
| SMILES | SCCN(CC1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Raman) | 0.991459 |