| SpectraBase Compound ID | 6nnznJQgZCl |
|---|---|
| InChI | InChI=1S/C13H17BrO2/c1-13(2,3)16-12(15)11-6-4-10(5-7-11)8-9-14/h4-7H,8-9H2,1-3H3 |
| InChIKey | CZUQCUGQLJSZOY-UHFFFAOYSA-N |
| Mol Weight | 285.18 g/mol |
| Molecular Formula | C13H17BrO2 |
| Exact Mass | 284.041193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gix10RfG0in |
|---|---|
| Name | T-Butyl 4-(2-bromoethyl)benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.041192785 u |
| Formula | C13H17BrO2 |
| InChI | InChI=1S/C13H17BrO2/c1-13(2,3)16-12(15)11-6-4-10(5-7-11)8-9-14/h4-7H,8-9H2,1-3H3 |
| InChIKey | CZUQCUGQLJSZOY-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(C1=CC=C(C=C1)CCBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928528 |