| SpectraBase Compound ID | C2WWdWEoWLc |
|---|---|
| InChI | InChI=1S/C10H10BrClO2/c11-7-1-2-10(13)14-9-5-3-8(12)4-6-9/h3-6H,1-2,7H2 |
| InChIKey | SFZQUTXYCIPZCO-UHFFFAOYSA-N |
| Mol Weight | 277.55 g/mol |
| Molecular Formula | C10H10BrClO2 |
| Exact Mass | 275.95527 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B71ZNyqAATJ |
|---|---|
| Name | 4-Bromobutyric acid, 4-chlorophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.955270260 u |
| Formula | C10H10BrClO2 |
| InChI | InChI=1S/C10H10BrClO2/c11-7-1-2-10(13)14-9-5-3-8(12)4-6-9/h3-6H,1-2,7H2 |
| InChIKey | SFZQUTXYCIPZCO-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)OC(CCCBr)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951927 |