| SpectraBase Compound ID | HHBoCuBuXPz |
|---|---|
| InChI | InChI=1S/C10H7NO/c11-8-10-5-2-1-4-9(10)6-3-7-12/h1-2,4-5,12H,7H2 |
| InChIKey | ABSXJTJGIGJBOE-UHFFFAOYSA-N |
| Mol Weight | 157.17 g/mol |
| Molecular Formula | C10H7NO |
| Exact Mass | 157.052764 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L8Wqg5IEYPp |
|---|---|
| Name | 2-(3-Hydroxyprop-1-yn-1-yl)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.052763848 u |
| Formula | C10H7NO |
| InChI | InChI=1S/C10H7NO/c11-8-10-5-2-1-4-9(10)6-3-7-12/h1-2,4-5,12H,7H2 |
| InChIKey | ABSXJTJGIGJBOE-UHFFFAOYSA-N |
| Molecular Weight | 157.172 g/mol |
| SMILES | C1=CC(=C(C=C1)C#CCO)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949663 |