| SpectraBase Compound ID | g5pR87QQSI |
|---|---|
| InChI | InChI=1S/C7H16N2S/c1-8-3-4-9(2)6-7(10)5-8/h7,10H,3-6H2,1-2H3 |
| InChIKey | SSILRMSFXRSMQD-UHFFFAOYSA-N |
| Mol Weight | 160.28 g/mol |
| Molecular Formula | C7H16N2S |
| Exact Mass | 160.10342 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6AqPs25P05l |
|---|---|
| Name | Hexahydro-1,4-dimethyl-1,4-diazepine-6-thiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.103419697 u |
| Formula | C7H16N2S |
| InChI | InChI=1S/C7H16N2S/c1-8-3-4-9(2)6-7(10)5-8/h7,10H,3-6H2,1-2H3 |
| InChIKey | SSILRMSFXRSMQD-UHFFFAOYSA-N |
| Molecular Weight | 160.279 g/mol |
| SMILES | C1N(CCN(CC1S)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952116 |