![2-[(2-Chlorobenzyl)sulfanyl]ethanamine](/api/spectrum/Jgz87DkVJpW/structure.png?h=300&w=458 "2-[(2-Chlorobenzyl)sulfanyl]ethanamine")
| SpectraBase Compound ID | 3Xdt5kvMc51 |
|---|---|
| InChI | InChI=1S/C9H12ClNS/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4H,5-7,11H2 |
| InChIKey | CEOBXCFVZOZDFM-UHFFFAOYSA-N |
| Mol Weight | 201.71 g/mol |
| Molecular Formula | C9H12ClNS |
| Exact Mass | 201.037898 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jgz87DkVJpW |
|---|---|
| Name | 2-[(2-Chlorobenzyl)sulfanyl]ethanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.037898264 u |
| Formula | C9H12ClNS |
| InChI | InChI=1S/C9H12ClNS/c10-9-4-2-1-3-8(9)7-12-6-5-11/h1-4H,5-7,11H2 |
| InChIKey | CEOBXCFVZOZDFM-UHFFFAOYSA-N |
| Molecular Weight | 201.715 g/mol |
| SMILES | C(SCC1=C(C=CC=C1)Cl)CN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943013 |