| SpectraBase Compound ID | Deasc7VhPTj |
|---|---|
| InChI | InChI=1S/C11H7NO3/c1-14-9-3-2-7-4-8(6-12)11(13)15-10(7)5-9/h2-5H,1H3 |
| InChIKey | GGAFPIBJPYCFGR-UHFFFAOYSA-N |
| Mol Weight | 201.18 g/mol |
| Molecular Formula | C11H7NO3 |
| Exact Mass | 201.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GHc8BYYhRbP |
|---|---|
| Name | 3-Cyano-7-methoxycoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.042593086 u |
| Formula | C11H7NO3 |
| InChI | InChI=1S/C11H7NO3/c1-14-9-3-2-7-4-8(6-12)11(13)15-10(7)5-9/h2-5H,1H3 |
| InChIKey | GGAFPIBJPYCFGR-UHFFFAOYSA-N |
| Molecular Weight | 201.181 g/mol |
| SMILES | C1(=CC=C2C(=C1)OC(=O)C(=C2)C#N)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961268 |