![3-Isopropyl-6-phenyl-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine](/api/spectrum/79Urv9mH45X/structure.png?h=300&w=458 "3-Isopropyl-6-phenyl-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine")
| SpectraBase Compound ID | K0pgsLtjpUK |
|---|---|
| InChI | InChI=1S/C13H14N4S/c1-9(2)12-14-15-13-17(12)16-11(8-18-13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KYCAVBDHSJHMTR-UHFFFAOYSA-N |
| Mol Weight | 258.34 g/mol |
| Molecular Formula | C13H14N4S |
| Exact Mass | 258.093918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 79Urv9mH45X |
|---|---|
| Name | 3-Isopropyl-6-phenyl-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.093917641 u |
| Formula | C13H14N4S |
| InChI | InChI=1S/C13H14N4S/c1-9(2)12-14-15-13-17(12)16-11(8-18-13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KYCAVBDHSJHMTR-UHFFFAOYSA-N |
| Molecular Weight | 258.343 g/mol |
| SMILES | C1=CC=CC=C1C=1CSC=2N(C(C(C)C)=NN2)N1 |