| SpectraBase Compound ID | 8lM7UpxAmBm |
|---|---|
| InChI | InChI=1S/C9H13NS/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2 |
| InChIKey | LDJADHZNGVTQJD-UHFFFAOYSA-N |
| Mol Weight | 167.27 g/mol |
| Molecular Formula | C9H13NS |
| Exact Mass | 167.076871 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3fWHRMN85VG |
|---|---|
| Name | 2-(Benzylamino)ethanethiol |
| 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/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2 |
| InChIKey | LDJADHZNGVTQJD-UHFFFAOYSA-N |
| Molecular Weight | 167.270 g/mol |
| SMILES | N(CC1=CC=CC=C1)CCS |
| Spectrum/Structure Validation Score (Raman) | 0.993195 |