| SpectraBase Compound ID | CwVXcFMCx0S |
|---|---|
| InChI | InChI=1S/C11H7NO2/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3 |
| InChIKey | FFBLBFMTKGSSPY-UHFFFAOYSA-N |
| Mol Weight | 185.18 g/mol |
| Molecular Formula | C11H7NO2 |
| Exact Mass | 185.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 290ZpvImayJ |
|---|---|
| Name | 2-Keto-4-methyl-chromene-3-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.047678467 u |
| Formula | C11H7NO2 |
| InChI | InChI=1S/C11H7NO2/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3 |
| InChIKey | FFBLBFMTKGSSPY-UHFFFAOYSA-N |
| Molecular Weight | 185.182 g/mol |
| SMILES | C=12OC(C(=C(C1C=CC=C2)C)C#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89176 |