| SpectraBase Compound ID | CcqifltMqtz |
|---|---|
| InChI | InChI=1S/C10H11FN4S2/c11-7-1-3-8(4-2-7)15-9(12)13-10(14-15)17-6-5-16/h1-4,16H,5-6H2,(H2,12,13,14) |
| InChIKey | DIESPCSCATXJGH-UHFFFAOYSA-N |
| Mol Weight | 270.34 g/mol |
| Molecular Formula | C10H11FN4S2 |
| Exact Mass | 270.040917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGOqWusCKJ2 |
|---|---|
| Name | 5-Amino-3-mercaptoethylthio-1-(4-fluorphenyl)-triazol-1,2,4 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.040916881 u |
| Formula | C10H11FN4S2 |
| InChI | InChI=1S/C10H11FN4S2/c11-7-1-3-8(4-2-7)15-9(12)13-10(14-15)17-6-5-16/h1-4,16H,5-6H2,(H2,12,13,14) |
| InChIKey | DIESPCSCATXJGH-UHFFFAOYSA-N |
| Molecular Weight | 270.344 g/mol |
| SMILES | C=1(N=C(N)N(N1)C1=CC=C(C=C1)F)SCCS |