| SpectraBase Compound ID | FTNNXqI93FF |
|---|---|
| InChI | InChI=1S/C10H7ClO2/c1-6-9(11)10(12)7-4-2-3-5-8(7)13-6/h2-5H,1H3 |
| InChIKey | OEKOZJOYVUFXEC-UHFFFAOYSA-N |
| Mol Weight | 194.62 g/mol |
| Molecular Formula | C10H7ClO2 |
| Exact Mass | 194.013457 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7GOjwyaONIz |
|---|---|
| Name | 3-Chloranyl-2-methyl-chromen-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.013457163 u |
| Formula | C10H7ClO2 |
| InChI | InChI=1S/C10H7ClO2/c1-6-9(11)10(12)7-4-2-3-5-8(7)13-6/h2-5H,1H3 |
| InChIKey | OEKOZJOYVUFXEC-UHFFFAOYSA-N |
| Molecular Weight | 194.617 g/mol |
| SMILES | C=1(C(C=2C=CC=CC2OC1C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955388 |