![N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]butanamide](/api/spectrum/Fey3IIXmonH/structure.png?h=300&w=458 "N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]butanamide")
| SpectraBase Compound ID | DFAGghfEA9R |
|---|---|
| InChI | InChI=1S/C14H17N3O2S/c1-3-4-12(18)15-14-17-16-13(20-14)9-10-5-7-11(19-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,15,17,18) |
| InChIKey | YIIDENGHWSHTGI-UHFFFAOYSA-N |
| Mol Weight | 291.37 g/mol |
| Molecular Formula | C14H17N3O2S |
| Exact Mass | 291.104148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fey3IIXmonH |
|---|---|
| Name | N-[5-(4-Methoxybenzyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.104147971 u |
| Formula | C14H17N3O2S |
| InChI | InChI=1S/C14H17N3O2S/c1-3-4-12(18)15-14-17-16-13(20-14)9-10-5-7-11(19-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,15,17,18) |
| InChIKey | YIIDENGHWSHTGI-UHFFFAOYSA-N |
| Molecular Weight | 291.369 g/mol |
| SMILES | N(C=1SC(CC=2C=CC(=CC2)OC)=NN1)C(=O)CCC |