| SpectraBase Compound ID | 278KVHCBPZx |
|---|---|
| InChI | InChI=1S/C9H9NO/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,11H,5,7H2 |
| InChIKey | JVLSPOMXYPEZCE-UHFFFAOYSA-N |
| Mol Weight | 147.18 g/mol |
| Molecular Formula | C9H9NO |
| Exact Mass | 147.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GsM3KNcc7H0 |
|---|---|
| Name | Benzeneacetonitrile, 2-(hydroxymethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.068413913 u |
| Formula | C9H9NO |
| InChI | InChI=1S/C9H9NO/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,11H,5,7H2 |
| InChIKey | JVLSPOMXYPEZCE-UHFFFAOYSA-N |
| Molecular Weight | 147.177 g/mol |
| SMILES | C(CC1=C(CO)C=CC=C1)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967653 |