| SpectraBase Compound ID | 8xnRtThPhk3 |
|---|---|
| InChI | InChI=1S/C10H9NO3/c1-2-13-10(12)14-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3 |
| InChIKey | QBQRNAOYCNQVFL-UHFFFAOYSA-N |
| Mol Weight | 191.19 g/mol |
| Molecular Formula | C10H9NO3 |
| Exact Mass | 191.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3RTZPzxhZba |
|---|---|
| Name | Carbonic acid, ethyl 4-cyanophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.058243151 u |
| Formula | C10H9NO3 |
| InChI | InChI=1S/C10H9NO3/c1-2-13-10(12)14-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3 |
| InChIKey | QBQRNAOYCNQVFL-UHFFFAOYSA-N |
| Molecular Weight | 191.186 g/mol |
| SMILES | C(C)OC(=O)OC1=CC=C(C#N)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921764 |