| SpectraBase Compound ID | L6Mv0nWAWFo |
|---|---|
| InChI | InChI=1S/C7H13N3OS2/c8-7(11)10-9-6-5-12-3-1-2-4-13-6/h1-5H2,(H3,8,10,11)/b9-6- |
| InChIKey | OIPYNBRKZSSMQT-TWGQIWQCSA-N |
| Mol Weight | 219.32 g/mol |
| Molecular Formula | C7H13N3OS2 |
| Exact Mass | 219.050004 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LqGUpm0SkqL |
|---|---|
| Name | 1,4-Dithiocan-3-one-semicarbazone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.050004398 u |
| Formula | C7H13N3OS2 |
| InChI | InChI=1S/C7H13N3OS2/c8-7(11)10-9-6-5-12-3-1-2-4-13-6/h1-5H2,(H3,8,10,11)/b9-6- |
| InChIKey | OIPYNBRKZSSMQT-TWGQIWQCSA-N |
| Molecular Weight | 219.321 g/mol |
| SMILES | C(N\N=C/1SCCCCSC1)(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864974 |