| SpectraBase Compound ID | 8MTeRq93s9W |
|---|---|
| InChI | InChI=1S/C12H22N2O3S/c1-4-5-6-7-8-9-11-10(2)13-14(12(11)15)18(3,16)17/h15H,4-9H2,1-3H3 |
| InChIKey | PJXNITVKACUHBF-UHFFFAOYSA-N |
| Mol Weight | 274.38 g/mol |
| Molecular Formula | C12H22N2O3S |
| Exact Mass | 274.135114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LXL2AiWNyBm |
|---|---|
| Name | 4-Heptyl-3-methyl-1-(methylsulfonyl)pyrazol-5-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.135113747 u |
| Formula | C12H22N2O3S |
| InChI | InChI=1S/C12H22N2O3S/c1-4-5-6-7-8-9-11-10(2)13-14(12(11)15)18(3,16)17/h15H,4-9H2,1-3H3 |
| InChIKey | PJXNITVKACUHBF-UHFFFAOYSA-N |
| Molecular Weight | 274.379 g/mol |
| SMILES | OC=1N(N=C(C1CCCCCCC)C)S(=O)(=O)C |