| SpectraBase Compound ID | 8QoN7TwLbPq |
|---|---|
| InChI | InChI=1S/C13H15BrO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2 |
| InChIKey | XCSPVCCMBFLCQT-UHFFFAOYSA-N |
| Mol Weight | 283.17 g/mol |
| Molecular Formula | C13H15BrO2 |
| Exact Mass | 282.025543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DCuUip4mj9D |
|---|---|
| Name | 4-Bromobenzoic acid, cyclohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.025542721 u |
| Formula | C13H15BrO2 |
| InChI | InChI=1S/C13H15BrO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2 |
| InChIKey | XCSPVCCMBFLCQT-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1)OC(=O)C=1C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895829 |