| SpectraBase Compound ID | 29OBrKeQiFu |
|---|---|
| InChI | InChI=1S/C12H15N3S/c13-12-15-14-11(16-12)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,13,15) |
| InChIKey | VKOMOKCBGYGBIV-UHFFFAOYSA-N |
| Mol Weight | 233.33 g/mol |
| Molecular Formula | C12H15N3S |
| Exact Mass | 233.098669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B9ryaq0P1Dm |
|---|---|
| Name | 1,3,4-Thiadiazol-2-amine, 5-(4-phenylbutyl)-; 2-amino-5-(4-phenylbutyl)thiadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.098668669 u |
| Formula | C12H15N3S |
| InChI | InChI=1S/C12H15N3S/c13-12-15-14-11(16-12)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,13,15) |
| InChIKey | VKOMOKCBGYGBIV-UHFFFAOYSA-N |
| Molecular Weight | 233.333 g/mol |
| SMILES | NC=1SC(CCCCC2=CC=CC=C2)=NN1 |