| SpectraBase Compound ID | 7kdVmO1XoQI |
|---|---|
| InChI | InChI=1S/C11H11NO3/c1-14-11(13)9-3-5-10(6-4-9)15-8-2-7-12/h3-6H,2,8H2,1H3 |
| InChIKey | CTQAVOSXHQJHJM-UHFFFAOYSA-N |
| Mol Weight | 205.21 g/mol |
| Molecular Formula | C11H11NO3 |
| Exact Mass | 205.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LESsKRK98KU |
|---|---|
| Name | Methyl p-(2-cyanoethoxy)benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.073893215 u |
| Formula | C11H11NO3 |
| InChI | InChI=1S/C11H11NO3/c1-14-11(13)9-3-5-10(6-4-9)15-8-2-7-12/h3-6H,2,8H2,1H3 |
| InChIKey | CTQAVOSXHQJHJM-UHFFFAOYSA-N |
| Molecular Weight | 205.213 g/mol |
| SMILES | C1=C(C=CC(=C1)OCCC#N)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960788 |