| SpectraBase Compound ID | IT2mFOXqAE9 |
|---|---|
| InChI | InChI=1S/C13H15N3O4S/c1-18-9-5-4-8(6-10(9)19-2)7-11-15-16-12(21-11)14-13(17)20-3/h4-6H,7H2,1-3H3,(H,14,16,17) |
| InChIKey | YJWICNOFPWOUNG-UHFFFAOYSA-N |
| Mol Weight | 309.34 g/mol |
| Molecular Formula | C13H15N3O4S |
| Exact Mass | 309.078327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 34QKZ4IJN3B |
|---|---|
| Name | Methyl 5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-ylcarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.078327145 u |
| Formula | C13H15N3O4S |
| InChI | InChI=1S/C13H15N3O4S/c1-18-9-5-4-8(6-10(9)19-2)7-11-15-16-12(21-11)14-13(17)20-3/h4-6H,7H2,1-3H3,(H,14,16,17) |
| InChIKey | YJWICNOFPWOUNG-UHFFFAOYSA-N |
| Molecular Weight | 309.340 g/mol |
| SMILES | N(C=1SC(CC=2C=C(OC)C(=CC2)OC)=NN1)C(=O)OC |