| SpectraBase Compound ID | DsXt5VDPI0R |
|---|---|
| InChI | InChI=1S/C9H9BrO2/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8,11H,4-5H2 |
| InChIKey | YZVOSKBBYKXJBD-UHFFFAOYSA-N |
| Mol Weight | 229.07 g/mol |
| Molecular Formula | C9H9BrO2 |
| Exact Mass | 227.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7WWjeWjQdqa |
|---|---|
| Name | 6-Bromanyl-3,4-dihydro-2H-chromen-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.978592528 u |
| Formula | C9H9BrO2 |
| InChI | InChI=1S/C9H9BrO2/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8,11H,4-5H2 |
| InChIKey | YZVOSKBBYKXJBD-UHFFFAOYSA-N |
| Molecular Weight | 229.073 g/mol |
| SMILES | C12=C(OCC(C2)O)C=CC(=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971345 |