| SpectraBase Compound ID | FRCBgV7h5rx |
|---|---|
| InChI | InChI=1S/C9H7BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2 |
| InChIKey | FFZQWUVOIMYRKC-UHFFFAOYSA-N |
| Mol Weight | 227.06 g/mol |
| Molecular Formula | C9H7BrO2 |
| Exact Mass | 225.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5YOeoPIvXCm |
|---|---|
| Name | 6-Bromochroman-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.962942463 u |
| Formula | C9H7BrO2 |
| InChI | InChI=1S/C9H7BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2 |
| InChIKey | FFZQWUVOIMYRKC-UHFFFAOYSA-N |
| Molecular Weight | 227.057 g/mol |
| SMILES | C1(CCC=2C(O1)=CC=C(C2)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901856 |