| SpectraBase Compound ID | 6NjpHho7xXt |
|---|---|
| InChI | InChI=1S/C20H31BrO2/c1-3-5-6-7-8-9-10-14-17(13-4-2)23-20(22)18-15-11-12-16-19(18)21/h11-12,15-17H,3-10,13-14H2,1-2H3 |
| InChIKey | OFRXPMUVSAALHE-UHFFFAOYSA-N |
| Mol Weight | 383.37 g/mol |
| Molecular Formula | C20H31BrO2 |
| Exact Mass | 382.150743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HUQas3ldxv9 |
|---|---|
| Name | 2-Bromobenzoic acid, 4-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.150743236 u |
| Formula | C20H31BrO2 |
| InChI | InChI=1S/C20H31BrO2/c1-3-5-6-7-8-9-10-14-17(13-4-2)23-20(22)18-15-11-12-16-19(18)21/h11-12,15-17H,3-10,13-14H2,1-2H3 |
| InChIKey | OFRXPMUVSAALHE-UHFFFAOYSA-N |
| Molecular Weight | 383.370 g/mol |
| SMILES | C1=C(C(C(OC(CCC)CCCCCCCCC)=O)=CC=C1)Br |