| SpectraBase Compound ID | B2rHwmoHczm |
|---|---|
| InChI | InChI=1S/C13H16N2O/c1-10-4-6-11(7-5-10)13-9-12(14-15-13)3-2-8-16/h4-7,9,16H,2-3,8H2,1H3,(H,14,15) |
| InChIKey | VEOBEPWURRYHFE-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 | 12lGQ6p5rpY |
|---|---|
| Name | 1H-Pyrazole-3-propanol, 5-(4-methylphenyl)- |
| 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/c1-10-4-6-11(7-5-10)13-9-12(14-15-13)3-2-8-16/h4-7,9,16H,2-3,8H2,1H3,(H,14,15) |
| InChIKey | VEOBEPWURRYHFE-UHFFFAOYSA-N |
| Molecular Weight | 216.284 g/mol |
| SMILES | CC1=CC=C(C=C1)C1=CC(CCCO)=NN1 |