| SpectraBase Compound ID | I3ChbCnAuLu |
|---|---|
| InChI | InChI=1S/C19H29BrO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15H,2-10,13,16H2,1H3 |
| InChIKey | JQJIQMCCMXOKRO-UHFFFAOYSA-N |
| Mol Weight | 369.34 g/mol |
| Molecular Formula | C19H29BrO2 |
| Exact Mass | 368.135093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JDGgXfm4gvW |
|---|---|
| Name | 2-Bromobenzoic acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.135093172 u |
| Formula | C19H29BrO2 |
| InChI | InChI=1S/C19H29BrO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15H,2-10,13,16H2,1H3 |
| InChIKey | JQJIQMCCMXOKRO-UHFFFAOYSA-N |
| Molecular Weight | 369.343 g/mol |
| SMILES | C1=CC(C(OCCCCCCCCCCCC)=O)=C(C=C1)Br |