| SpectraBase Compound ID | DQOzyCV1Rpg |
|---|---|
| InChI | InChI=1S/C13H15BrO2/c1-16-13(15)6-4-2-3-5-11-7-9-12(14)10-8-11/h3,5,7-10H,2,4,6H2,1H3/b5-3- |
| InChIKey | TYPOGEICZFWQLS-HYXAFXHYSA-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 | KW0iAtte5Di |
|---|---|
| Name | 5-Hexenoic acid, 6-(4-bromophenyl)-, methyl 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/c1-16-13(15)6-4-2-3-5-11-7-9-12(14)10-8-11/h3,5,7-10H,2,4,6H2,1H3/b5-3- |
| InChIKey | TYPOGEICZFWQLS-HYXAFXHYSA-N |
| SMILES | C1(=CC=C(C=C1)Br)\C=C/CCCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929549 |