| SpectraBase Compound ID | G52MnPUr4f1 |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-2-10(12)9-5-3-8(7-11)4-6-9/h3-6,10,12H,2H2,1H3 |
| InChIKey | SANZOIKZCSMDJA-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TPjoShqPhy |
|---|---|
| Name | 4-(1-Hydroxypropyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.084063977 u |
| Formula | C10H11NO |
| InChI | InChI=1S/C10H11NO/c1-2-10(12)9-5-3-8(7-11)4-6-9/h3-6,10,12H,2H2,1H3 |
| InChIKey | SANZOIKZCSMDJA-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C(CC)(O)C=1C=CC(=CC1)C#N |