![[5-[(4-Fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl]amine](/api/spectrum/DPToxF6P6P3/structure.png?h=300&w=458 "[5-[(4-Fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl]amine")
| SpectraBase Compound ID | 4GtXEGwHSIp |
|---|---|
| InChI | InChI=1S/C9H9FN4S/c10-7-3-1-6(2-4-7)5-15-9-12-8(11)13-14-9/h1-4H,5H2,(H3,11,12,13,14) |
| InChIKey | KFODOZBFEBUCEF-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C9H9FN4S |
| Exact Mass | 224.053196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPToxF6P6P3 |
|---|---|
| Name | [5-[(4-Fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl]amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.053195643 u |
| Formula | C9H9FN4S |
| InChI | InChI=1S/C9H9FN4S/c10-7-3-1-6(2-4-7)5-15-9-12-8(11)13-14-9/h1-4H,5H2,(H3,11,12,13,14) |
| InChIKey | KFODOZBFEBUCEF-UHFFFAOYSA-N |
| Molecular Weight | 224.257 g/mol |
| SMILES | C(SC1=NN=C(N1)N)C1=CC=C(C=C1)F |