| SpectraBase Compound ID | IswNSfUqoXP |
|---|---|
| InChI | InChI=1S/C5H11NS2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3 |
| InChIKey | NBGTWXBPCIHUQD-UHFFFAOYSA-N |
| Mol Weight | 222.41 g/mol |
| Molecular Formula | C9H22N2S2 |
| Exact Mass | 222.122441 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BWMWaYiI1vm |
|---|---|
| Name | Diethyldithiocarbamic acid, compound with diethylamine(1:1) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.122441064 u |
| Formula | C9H22N2S2 |
| InChI | InChI=1S/C5H11NS2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3 |
| InChIKey | NBGTWXBPCIHUQD-UHFFFAOYSA-N |
| SMILES | N(CC)CC.SC(N(CC)CC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.943398 |