| SpectraBase Compound ID | 8gXWoYPtV7N |
|---|---|
| InChI | InChI=1S/C14H18N4S/c1-12-15-17(11-16-9-5-6-10-16)14(19)18(12)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3 |
| InChIKey | NWZFXPMQJZEHAN-UHFFFAOYSA-N |
| Mol Weight | 274.39 g/mol |
| Molecular Formula | C14H18N4S |
| Exact Mass | 274.125218 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 | C0ZgG5oRWll |
|---|---|
| Name | 5-Methyl-4-phenyl-2-(1-pyrrolidinylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.125217770 u |
| Formula | C14H18N4S |
| InChI | InChI=1S/C14H18N4S/c1-12-15-17(11-16-9-5-6-10-16)14(19)18(12)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3 |
| InChIKey | NWZFXPMQJZEHAN-UHFFFAOYSA-N |
| SMILES | C=1C=CC(N2C(N(N=C2C)CN2CCCC2)=S)=CC1 |