| SpectraBase Compound ID | 8y7EySnAAVG |
|---|---|
| InChI | InChI=1S/C9H14N4O2S3/c1-13(2)11-9(15)10-6(14)5-7(16-3)12-18-8(5)17-4/h1-4H3,(H2,10,11,14,15) |
| InChIKey | KBMXUBXFJXONHI-UHFFFAOYSA-N |
| Mol Weight | 306.42 g/mol |
| Molecular Formula | C9H14N4O2S3 |
| Exact Mass | 306.027889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3yS3XKcx9p |
|---|---|
| Name | Semicarbazide, 1,1-dimethyl-4-(3,5-bis-methylsulfanyl-isothiazole-4-carbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.027889227 u |
| Formula | C9H14N4O2S3 |
| InChI | InChI=1S/C9H14N4O2S3/c1-13(2)11-9(15)10-6(14)5-7(16-3)12-18-8(5)17-4/h1-4H3,(H2,10,11,14,15) |
| InChIKey | KBMXUBXFJXONHI-UHFFFAOYSA-N |
| Molecular Weight | 306.417 g/mol |
| SMILES | C1(C(NC(=O)NN(C)C)=O)=C(SN=C1SC)SC |