| SpectraBase Compound ID | B1gGEJq12qp |
|---|---|
| InChI | InChI=1S/C11H13BrO3/c12-7-2-1-6-11(14)15-10-5-3-4-9(13)8-10/h3-5,8,13H,1-2,6-7H2 |
| InChIKey | GIZZDCIMAGNGCM-UHFFFAOYSA-N |
| Mol Weight | 273.13 g/mol |
| Molecular Formula | C11H13BrO3 |
| Exact Mass | 272.004807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4bfZ1R0ZG42 |
|---|---|
| Name | 1,3-Benzenediol, o-(5-bromovaleryl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.004807276 u |
| Formula | C11H13BrO3 |
| InChI | InChI=1S/C11H13BrO3/c12-7-2-1-6-11(14)15-10-5-3-4-9(13)8-10/h3-5,8,13H,1-2,6-7H2 |
| InChIKey | GIZZDCIMAGNGCM-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1O)OC(=O)CCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871647 |