| SpectraBase Compound ID | ACfDWolXAGY |
|---|---|
| InChI | InChI=1S/C15H19BrO2/c1-2-11-5-3-4-6-14(11)18-15(17)12-7-9-13(16)10-8-12/h7-11,14H,2-6H2,1H3 |
| InChIKey | XRHLJODTFCAOOC-UHFFFAOYSA-N |
| Mol Weight | 311.22 g/mol |
| Molecular Formula | C15H19BrO2 |
| Exact Mass | 310.056843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LeOtWzfSEQ2 |
|---|---|
| Name | 4-Bromobenzoic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.056842850 u |
| Formula | C15H19BrO2 |
| InChI | InChI=1S/C15H19BrO2/c1-2-11-5-3-4-6-14(11)18-15(17)12-7-9-13(16)10-8-12/h7-11,14H,2-6H2,1H3 |
| InChIKey | XRHLJODTFCAOOC-UHFFFAOYSA-N |
| Molecular Weight | 311.219 g/mol |
| SMILES | C1=CC(C(OC2CCCCC2CC)=O)=CC=C1Br |