![3-(4-Methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine](/api/spectrum/CdxKvMKVSQp/structure.png?h=300&w=458 "3-(4-Methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazine")
| SpectraBase Compound ID | Ae3jKqzTpwJ |
|---|---|
| InChI | InChI=1S/C12H13N3OS/c1-16-10-5-3-9(4-6-10)11-13-14-12-15(11)7-2-8-17-12/h3-6H,2,7-8H2,1H3 |
| InChIKey | VCTDUMSXTOEWCM-UHFFFAOYSA-N |
| Mol Weight | 247.32 g/mol |
| Molecular Formula | C12H13N3OS |
| Exact Mass | 247.077933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CdxKvMKVSQp |
|---|---|
| Name | 3-(4-Methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-B][1,3]thiazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.077933224 u |
| Formula | C12H13N3OS |
| InChI | InChI=1S/C12H13N3OS/c1-16-10-5-3-9(4-6-10)11-13-14-12-15(11)7-2-8-17-12/h3-6H,2,7-8H2,1H3 |
| InChIKey | VCTDUMSXTOEWCM-UHFFFAOYSA-N |
| Molecular Weight | 247.316 g/mol |
| SMILES | C=1(N2C(=NN1)SCCC2)C=1C=CC(=CC1)OC |