| SpectraBase Compound ID | H8TG49XNVVX |
|---|---|
| InChI | InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3 |
| InChIKey | XJCLWVXTCRQIDI-UHFFFAOYSA-N |
| Mol Weight | 223.78 g/mol |
| Molecular Formula | C8H14ClNS2 |
| Exact Mass | 223.02562 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LCqydspneCw |
|---|---|
| Name | Vegadex |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.025619503 u |
| Formula | C8H14ClNS2 |
| InChI | InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3 |
| InChIKey | XJCLWVXTCRQIDI-UHFFFAOYSA-N |
| Molecular Weight | 223.780 g/mol |
| SMILES | C(C(Cl)=C)SC(N(CC)CC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.820691 |