| SpectraBase Compound ID | HLAYYGT4fMV |
|---|---|
| InChI | InChI=1S/C6H12N2S/c1-9-6-7-4-2-3-5-8-6/h2-5H2,1H3,(H,7,8) |
| InChIKey | APZLFZUMHUZNIJ-UHFFFAOYSA-N |
| Mol Weight | 144.24 g/mol |
| Molecular Formula | C6H12N2S |
| Exact Mass | 144.07212 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FpBZIPsjm0L |
|---|---|
| Name | 2-(methylthio)-4,5,6,7-tetrahydro-1H-1,3-diazepine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H12N2S |
| InChI | InChI=1S/C6H12N2S/c1-9-6-7-4-2-3-5-8-6/h2-5H2,1H3,(H,7,8) |
| InChIKey | APZLFZUMHUZNIJ-UHFFFAOYSA-N |
| Molecular Weight | 144.236 g/mol |
| SMILES | N1CCCCN=C1SC |
| SPLASH | splash10-000x-0900000000-3762e1673eef8fa5dbc8 |
| Source of Spectrum | G-58-1136-0 |
| Wiley ID | 748703 |