![[5-[(4-Fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl]amine, N,N,N'-trimethyl-](/api/spectrum/HLY3weG71me/structure.png?h=300&w=458 "[5-[(4-Fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl]amine, N,N,N'-trimethyl-")
| SpectraBase Compound ID | 1qnc4EqxeoV |
|---|---|
| InChI | InChI=1S/C12H15FN4S/c1-16(2)11-14-15-12(17(11)3)18-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3 |
| InChIKey | XLNRHKGUSROYKC-UHFFFAOYSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C12H15FN4S |
| Exact Mass | 266.100146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLY3weG71me |
|---|---|
| Name | [5-[(4-Fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl]amine, N,N,N'-trimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.100145836 u |
| Formula | C12H15FN4S |
| InChI | InChI=1S/C12H15FN4S/c1-16(2)11-14-15-12(17(11)3)18-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3 |
| InChIKey | XLNRHKGUSROYKC-UHFFFAOYSA-N |
| Molecular Weight | 266.338 g/mol |
| SMILES | C(SC1=NN=C(N1C)N(C)C)C1=CC=C(C=C1)F |