![[5-[(4-Fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl]amine, N-acetyl-](/api/spectrum/70sf1X2lo1N/structure.png?h=300&w=458 "[5-[(4-Fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl]amine, N-acetyl-")
| SpectraBase Compound ID | DjEBvOFPKWp |
|---|---|
| InChI | InChI=1S/C11H11FN4OS/c1-7(17)13-10-14-11(16-15-10)18-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H2,13,14,15,16,17) |
| InChIKey | TZHJECSMOBLJCQ-UHFFFAOYSA-N |
| Mol Weight | 266.29 g/mol |
| Molecular Formula | C11H11FN4OS |
| Exact Mass | 266.06376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70sf1X2lo1N |
|---|---|
| Name | [5-[(4-Fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl]amine, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.063760326 u |
| Formula | C11H11FN4OS |
| InChI | InChI=1S/C11H11FN4OS/c1-7(17)13-10-14-11(16-15-10)18-6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H2,13,14,15,16,17) |
| InChIKey | TZHJECSMOBLJCQ-UHFFFAOYSA-N |
| Molecular Weight | 266.294 g/mol |
| SMILES | C(SC1=NN=C(N1)NC(C)=O)C1=CC=C(C=C1)F |