| SpectraBase Compound ID | LVdYjFP976j |
|---|---|
| InChI | InChI=1S/C17H25BrO2/c1-4-13(5-2)11-12-14(6-3)20-17(19)15-9-7-8-10-16(15)18/h7-10,13-14H,4-6,11-12H2,1-3H3 |
| InChIKey | IKDHXACPKRBXSH-UHFFFAOYSA-N |
| Mol Weight | 341.29 g/mol |
| Molecular Formula | C17H25BrO2 |
| Exact Mass | 340.103793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PiI2A0qBHU |
|---|---|
| Name | 2-Bromobenzoic acid, 6-ethyl-3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.103793043 u |
| Formula | C17H25BrO2 |
| InChI | InChI=1S/C17H25BrO2/c1-4-13(5-2)11-12-14(6-3)20-17(19)15-9-7-8-10-16(15)18/h7-10,13-14H,4-6,11-12H2,1-3H3 |
| InChIKey | IKDHXACPKRBXSH-UHFFFAOYSA-N |
| Molecular Weight | 341.289 g/mol |
| SMILES | C1(C(=O)OC(CCC(CC)CC)CC)=CC=CC=C1Br |