![4-Butyl-1-(toluene-4-sulfonyl)-1H-[1,2,3]triazole](/api/spectrum/KxnimqMIBlC/structure.png?h=300&w=458 "4-Butyl-1-(toluene-4-sulfonyl)-1H-[1,2,3]triazole")
| SpectraBase Compound ID | 3DfoA2A87gu |
|---|---|
| InChI | InChI=1S/C13H17N3O2S/c1-3-4-5-12-10-16(15-14-12)19(17,18)13-8-6-11(2)7-9-13/h6-10H,3-5H2,1-2H3 |
| InChIKey | IYIYOIWRYMGZRS-UHFFFAOYSA-N |
| Mol Weight | 279.36 g/mol |
| Molecular Formula | C13H17N3O2S |
| Exact Mass | 279.104148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KxnimqMIBlC |
|---|---|
| Name | 4-Butyl-1-(toluene-4-sulfonyl)-1H-[1,2,3]triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.104147971 u |
| Formula | C13H17N3O2S |
| InChI | InChI=1S/C13H17N3O2S/c1-3-4-5-12-10-16(15-14-12)19(17,18)13-8-6-11(2)7-9-13/h6-10H,3-5H2,1-2H3 |
| InChIKey | IYIYOIWRYMGZRS-UHFFFAOYSA-N |
| SMILES | C=1(S(N2N=NC(=C2)CCCC)(=O)=O)C=CC(=CC1)C |