| SpectraBase Compound ID | IqX7fhFVfU2 |
|---|---|
| InChI | InChI=1S/C10H11NO2/c1-12-9-5-3-8(4-6-9)10(7-11)13-2/h3-6,10H,1-2H3 |
| InChIKey | NPPSSAXGXXXITP-UHFFFAOYSA-N |
| Mol Weight | 177.2 g/mol |
| Molecular Formula | C10H11NO2 |
| Exact Mass | 177.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dcbdnm2tIz4 |
|---|---|
| Name | 2-Methoxy-2-(4-methoxyphenyl)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.078978596 u |
| Formula | C10H11NO2 |
| InChI | InChI=1S/C10H11NO2/c1-12-9-5-3-8(4-6-9)10(7-11)13-2/h3-6,10H,1-2H3 |
| InChIKey | NPPSSAXGXXXITP-UHFFFAOYSA-N |
| Molecular Weight | 177.203 g/mol |
| SMILES | C1=C(C=CC(=C1)C(C#N)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89355 |