| SpectraBase Compound ID | LWr7WoZ19cv |
|---|---|
| InChI | InChI=1S/C13H16N2O/c1-3-6-11-9-13(16)15(14-11)12-8-5-4-7-10(12)2/h4-5,7-9,16H,3,6H2,1-2H3 |
| InChIKey | CGYWKOGIWZPMPL-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C13H16N2O |
| Exact Mass | 216.126263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14CIkPr0Vrw |
|---|---|
| Name | 1H-Pyrazol-5-ol, 1-(2-methylphenyl)-3-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.126263142 u |
| Formula | C13H16N2O |
| InChI | InChI=1S/C13H16N2O/c1-3-6-11-9-13(16)15(14-11)12-8-5-4-7-10(12)2/h4-5,7-9,16H,3,6H2,1-2H3 |
| InChIKey | CGYWKOGIWZPMPL-UHFFFAOYSA-N |
| Molecular Weight | 216.284 g/mol |
| SMILES | OC=1N(N=C(CCC)C1)C=1C(C)=CC=CC1 |