| SpectraBase Compound ID | 22l33KjPcHo |
|---|---|
| InChI | InChI=1S/C11H13NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8H,3-4H2,1-2H3 |
| InChIKey | LECKQPWCSYMCDR-UHFFFAOYSA-N |
| Mol Weight | 191.23 g/mol |
| Molecular Formula | C11H13NO2 |
| Exact Mass | 191.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1703s3nbKr0 |
|---|---|
| Name | Benzenepropanenitrile, 3,4-dimethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.094628661 u |
| Formula | C11H13NO2 |
| InChI | InChI=1S/C11H13NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8H,3-4H2,1-2H3 |
| InChIKey | LECKQPWCSYMCDR-UHFFFAOYSA-N |
| Molecular Weight | 191.230 g/mol |
| SMILES | COC1=CC=C(CCC#N)C=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973971 |