| SpectraBase Compound ID | 5Wt0AmT94OU |
|---|---|
| InChI | InChI=1S/C12H15NO/c1-2-5-12(14)8-10-6-3-4-7-11(10)9-13/h3-4,6-7,12,14H,2,5,8H2,1H3 |
| InChIKey | ITQZFERWNYRUQA-UHFFFAOYSA-N |
| Mol Weight | 189.26 g/mol |
| Molecular Formula | C12H15NO |
| Exact Mass | 189.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgXrojvtv1Q |
|---|---|
| Name | 1-(2-Cyanophenyl)pentan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.115364106 u |
| Formula | C12H15NO |
| InChI | InChI=1S/C12H15NO/c1-2-5-12(14)8-10-6-3-4-7-11(10)9-13/h3-4,6-7,12,14H,2,5,8H2,1H3 |
| InChIKey | ITQZFERWNYRUQA-UHFFFAOYSA-N |
| Molecular Weight | 189.258 g/mol |
| SMILES | C(C(CCC)O)C=1C(=CC=CC1)C#N |