| SpectraBase Compound ID | 7W01V0HKTon |
|---|---|
| InChI | InChI=1S/C14H19N3OS2/c1-2-3-4-5-6-9-12-16-17-14(20-12)15-13(18)11-8-7-10-19-11/h7-8,10H,2-6,9H2,1H3,(H,15,17,18) |
| InChIKey | GMGMOAVIAFWJMD-UHFFFAOYSA-N |
| Mol Weight | 309.45 g/mol |
| Molecular Formula | C14H19N3OS2 |
| Exact Mass | 309.096955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4P5MnwrFr2x |
|---|---|
| Name | Thiophene-2-carboxamide, N-(5-heptyl-1,3,4-thiadiazol-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.096954591 u |
| Formula | C14H19N3OS2 |
| InChI | InChI=1S/C14H19N3OS2/c1-2-3-4-5-6-9-12-16-17-14(20-12)15-13(18)11-8-7-10-19-11/h7-8,10H,2-6,9H2,1H3,(H,15,17,18) |
| InChIKey | GMGMOAVIAFWJMD-UHFFFAOYSA-N |
| Molecular Weight | 309.446 g/mol |
| SMILES | C(NC1=NN=C(S1)CCCCCCC)(=O)C=1SC=CC1 |