| SpectraBase Compound ID | 4E3DRzMh03 |
|---|---|
| InChI | InChI=1S/C14H19BrO2/c1-2-3-4-5-6-10-17-14(16)12-8-7-9-13(15)11-12/h7-9,11H,2-6,10H2,1H3 |
| InChIKey | NVBPJJZDYVTYTE-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 | 5IwkCBtv6v5 |
|---|---|
| Name | 3-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/c1-2-3-4-5-6-10-17-14(16)12-8-7-9-13(15)11-12/h7-9,11H,2-6,10H2,1H3 |
| InChIKey | NVBPJJZDYVTYTE-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC(C(=O)OCCCCCCC)=CC=C1 |