| SpectraBase Compound ID | s8ZE3u1w4R |
|---|---|
| InChI | InChI=1S/C12H15NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7H2,1-2H3 |
| InChIKey | OBDKFHFLERWBBI-UHFFFAOYSA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4eI0JkYK41J |
|---|---|
| Name | Benzeneacetonitrile, 3,4-diethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.110278725 u |
| Formula | C12H15NO2 |
| InChI | InChI=1S/C12H15NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7H2,1-2H3 |
| InChIKey | OBDKFHFLERWBBI-UHFFFAOYSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C1=C(C=CC(=C1OCC)OCC)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976375 |