| SpectraBase Compound ID | Ksn9M8gXcIr |
|---|---|
| InChI | InChI=1S/C6H13NOS2/c8-2-1-7-5-9-3-4-10-6-7/h8H,1-6H2 |
| InChIKey | RPJLFCQBTYQUJB-UHFFFAOYSA-N |
| Mol Weight | 179.3 g/mol |
| Molecular Formula | C6H13NOS2 |
| Exact Mass | 179.043856 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DCFRIGIKGHf |
|---|---|
| Name | 2-(1,5,3-Dithiazepan-3-yl)-ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.043856390 u |
| Formula | C6H13NOS2 |
| InChI | InChI=1S/C6H13NOS2/c8-2-1-7-5-9-3-4-10-6-7/h8H,1-6H2 |
| InChIKey | RPJLFCQBTYQUJB-UHFFFAOYSA-N |
| SMILES | C1N(CSCCS1)CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809613 |