| SpectraBase Compound ID | C8qzWRKthHc |
|---|---|
| InChI | InChI=1S/C12H13N3OS/c1-8-3-5-10(6-4-8)7-11-14-15-12(17-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,15,16) |
| InChIKey | GZDHSCFACJAIKW-UHFFFAOYSA-N |
| Mol Weight | 247.32 g/mol |
| Molecular Formula | C12H13N3OS |
| Exact Mass | 247.077933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NRSD4VDosv |
|---|---|
| Name | 5-(4-Methylbenzyl)-1,3,4-thiadiazol-2-amine, ac derivative |
| 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/c1-8-3-5-10(6-4-8)7-11-14-15-12(17-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,15,16) |
| InChIKey | GZDHSCFACJAIKW-UHFFFAOYSA-N |
| Molecular Weight | 247.316 g/mol |
| SMILES | C=1(SC(=NN1)CC1=CC=C(C=C1)C)NC(=O)C |