| SpectraBase Compound ID | 5cUqF8BdB3n |
|---|---|
| InChI | InChI=1S/C12H15NO2/c1-14-12(15-2)8-11(9-13)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3 |
| InChIKey | UTJQKOPFOXQGRT-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 | AzZ3PC28GME |
|---|---|
| Name | 4,4-Dimethoxy-2-phenylbutanenitrile |
| 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/c1-14-12(15-2)8-11(9-13)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3 |
| InChIKey | UTJQKOPFOXQGRT-UHFFFAOYSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C(#N)C(CC(OC)OC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861817 |