![3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide](/api/spectrum/1VgCiNjBnFU/structure.png?h=300&w=458 "3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide")
| SpectraBase Compound ID | I8VetDNtl3K |
|---|---|
| InChI | InChI=1S/C12H13N3OS2/c1-9-14-15-12(18-9)17-8-7-11(16)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,16) |
| InChIKey | AQQLNFCYIXIEAQ-UHFFFAOYSA-N |
| Mol Weight | 279.38 g/mol |
| Molecular Formula | C12H13N3OS2 |
| Exact Mass | 279.050004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1VgCiNjBnFU |
|---|---|
| Name | 3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.050004398 u |
| Formula | C12H13N3OS2 |
| InChI | InChI=1S/C12H13N3OS2/c1-9-14-15-12(18-9)17-8-7-11(16)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,16) |
| InChIKey | AQQLNFCYIXIEAQ-UHFFFAOYSA-N |
| SMILES | N(C(CCSC=1SC(=NN1)C)=O)C=1C=CC=CC1 |