| SpectraBase Compound ID | fBvE4CWcRU |
|---|---|
| InChI | InChI=1S/C15H9BrO2/c16-12-6-7-14-11(8-12)9-13(15(17)18-14)10-4-2-1-3-5-10/h1-9H |
| InChIKey | DDDRDLGIASLNEU-UHFFFAOYSA-N |
| Mol Weight | 301.14 g/mol |
| Molecular Formula | C15H9BrO2 |
| Exact Mass | 299.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8YCsSnC08HS |
|---|---|
| Name | 6-Bromanyl-3-phenyl-chromen-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.978592528 u |
| Formula | C15H9BrO2 |
| InChI | InChI=1S/C15H9BrO2/c16-12-6-7-14-11(8-12)9-13(15(17)18-14)10-4-2-1-3-5-10/h1-9H |
| InChIKey | DDDRDLGIASLNEU-UHFFFAOYSA-N |
| SMILES | C1(C(=CC2=C(O1)C=CC(Br)=C2)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923682 |