| SpectraBase Compound ID | EUAcPmCoLxc |
|---|---|
| InChI | InChI=1S/C11H11BrO2/c12-9-6-4-8(5-7-9)11(13)14-10-2-1-3-10/h4-7,10H,1-3H2 |
| InChIKey | QEAHXJVAYKVTTR-UHFFFAOYSA-N |
| Mol Weight | 255.11 g/mol |
| Molecular Formula | C11H11BrO2 |
| Exact Mass | 253.994243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DqdmyVtVWi |
|---|---|
| Name | 4-Bromobenzoic acid, cyclobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.994242592 u |
| Formula | C11H11BrO2 |
| InChI | InChI=1S/C11H11BrO2/c12-9-6-4-8(5-7-9)11(13)14-10-2-1-3-10/h4-7,10H,1-3H2 |
| InChIKey | QEAHXJVAYKVTTR-UHFFFAOYSA-N |
| Molecular Weight | 255.111 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OC1CCC1)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943024 |