| SpectraBase Compound ID | Jo4vIDMsjwE |
|---|---|
| InChI | InChI=1S/C8H7NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4H2 |
| InChIKey | IEOUEWOHAFNQCO-UHFFFAOYSA-N |
| Mol Weight | 133.15 g/mol |
| Molecular Formula | C8H7NO |
| Exact Mass | 133.052764 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LmyZz701HUt |
|---|---|
| Name | Benzeneacetonitrile, 3-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 133.052763848 u |
| Formula | C8H7NO |
| InChI | InChI=1S/C8H7NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4H2 |
| InChIKey | IEOUEWOHAFNQCO-UHFFFAOYSA-N |
| Molecular Weight | 133.150 g/mol |
| SMILES | C1(=CC(=CC=C1)O)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89109 |