| SpectraBase Compound ID | Hah1cZnH20j |
|---|---|
| InChI | InChI=1S/C18H25BrO2/c1-2-3-4-5-6-7-8-9-12-15-21-18(20)16-13-10-11-14-17(16)19/h2,10-11,13-14H,1,3-9,12,15H2 |
| InChIKey | FXESIZBZMBZEOV-UHFFFAOYSA-N |
| Mol Weight | 353.3 g/mol |
| Molecular Formula | C18H25BrO2 |
| Exact Mass | 352.103793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnU4WEajiS9 |
|---|---|
| Name | 2-Bromobenzoic acid, 10-undecenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.103793043 u |
| Formula | C18H25BrO2 |
| InChI | InChI=1S/C18H25BrO2/c1-2-3-4-5-6-7-8-9-12-15-21-18(20)16-13-10-11-14-17(16)19/h2,10-11,13-14H,1,3-9,12,15H2 |
| InChIKey | FXESIZBZMBZEOV-UHFFFAOYSA-N |
| Molecular Weight | 353.300 g/mol |
| SMILES | C1=CC(C(OCCCCCCCCCC=C)=O)=C(C=C1)Br |