| SpectraBase Compound ID | IpuvdzsyNpl |
|---|---|
| InChI | InChI=1S/C13H7BrO2/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7H |
| InChIKey | UBPSDNHQRRCBTG-UHFFFAOYSA-N |
| Mol Weight | 275.1 g/mol |
| Molecular Formula | C13H7BrO2 |
| Exact Mass | 273.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2FHDYo8vxI6 |
|---|---|
| Name | 4-Bromoxanthen-9-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.962942463 u |
| Formula | C13H7BrO2 |
| InChI | InChI=1S/C13H7BrO2/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7H |
| InChIKey | UBPSDNHQRRCBTG-UHFFFAOYSA-N |
| SMILES | c12Oc3c(C(c2cccc1Br)=O)cccc3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91062 |