| SpectraBase Compound ID | BrlzSD5gfaK |
|---|---|
| InChI | InChI=1S/C14H16N2OS2/c1-3-9-19-14(18)12-10(2)15-16(13(12)17)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3 |
| InChIKey | KQFKPYLNUJVRPI-UHFFFAOYSA-N |
| Mol Weight | 292.42 g/mol |
| Molecular Formula | C14H16N2OS2 |
| Exact Mass | 292.070405 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 | I2F3nQZPWN5 |
|---|---|
| Name | 4-(Propyldithioate)-5-hydroxy-3-methyl-1-phenylpyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.070405490 u |
| Formula | C14H16N2OS2 |
| InChI | InChI=1S/C14H16N2OS2/c1-3-9-19-14(18)12-10(2)15-16(13(12)17)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3 |
| InChIKey | KQFKPYLNUJVRPI-UHFFFAOYSA-N |
| Molecular Weight | 292.415 g/mol |
| SMILES | C=1(N(N=C(C1C(=S)SCCC)C)C1=CC=CC=C1)O |