| SpectraBase Compound ID | FEca2e8Fvmp |
|---|---|
| InChI | InChI=1S/C17H17NO2/c1-2-19-16-9-8-14(10-11-18)12-17(16)20-13-15-6-4-3-5-7-15/h3-9,12H,2,10,13H2,1H3 |
| InChIKey | WHXVASKSCZONLE-UHFFFAOYSA-N |
| Mol Weight | 267.33 g/mol |
| Molecular Formula | C17H17NO2 |
| Exact Mass | 267.125929 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BxMBMZOZ1lp |
|---|---|
| Name | 3-Benzyloxy-4-ethoxyphenylacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.125928789 u |
| Formula | C17H17NO2 |
| InChI | InChI=1S/C17H17NO2/c1-2-19-16-9-8-14(10-11-18)12-17(16)20-13-15-6-4-3-5-7-15/h3-9,12H,2,10,13H2,1H3 |
| InChIKey | WHXVASKSCZONLE-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1OCC1=CC=CC=C1)OCC)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960048 |