| SpectraBase Compound ID | 6JJBfGAkJyq |
|---|---|
| InChI | InChI=1S/C12H14N2O/c15-8-4-7-14-10-12(9-13-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2 |
| InChIKey | BITICVSFPPPMCI-UHFFFAOYSA-N |
| Mol Weight | 202.26 g/mol |
| Molecular Formula | C12H14N2O |
| Exact Mass | 202.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7IWG2M1Xdmi |
|---|---|
| Name | 4-Phenylpyrazole-1-propanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.110613078 u |
| Formula | C12H14N2O |
| InChI | InChI=1S/C12H14N2O/c15-8-4-7-14-10-12(9-13-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2 |
| InChIKey | BITICVSFPPPMCI-UHFFFAOYSA-N |
| Molecular Weight | 202.257 g/mol |
| SMILES | OCCCN1N=CC(=C1)C1=CC=CC=C1 |