| SpectraBase Compound ID | GMMu2actc8Q |
|---|---|
| InChI | InChI=1S/C14H19BrO2/c1-2-3-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15/h6-7,9-10H,2-5,8,11H2,1H3 |
| InChIKey | NXHDSHPNDGJLPC-UHFFFAOYSA-N |
| Mol Weight | 299.21 g/mol |
| Molecular Formula | C14H19BrO2 |
| Exact Mass | 298.056843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ifmz4eZqDY9 |
|---|---|
| Name | 2-Bromobenzoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.056842850 u |
| Formula | C14H19BrO2 |
| InChI | InChI=1S/C14H19BrO2/c1-2-3-4-5-8-11-17-14(16)12-9-6-7-10-13(12)15/h6-7,9-10H,2-5,8,11H2,1H3 |
| InChIKey | NXHDSHPNDGJLPC-UHFFFAOYSA-N |
| SMILES | C1=CC(C(OCCCCCCC)=O)=C(C=C1)Br |