| SpectraBase Compound ID | LCbXVAoVUzK |
|---|---|
| InChI | InChI=1S/C18H27BrO2/c1-2-3-4-5-6-7-8-9-10-15-21-18(20)16-11-13-17(19)14-12-16/h11-14H,2-10,15H2,1H3 |
| InChIKey | NKFCOUQGADHZKN-UHFFFAOYSA-N |
| Mol Weight | 355.32 g/mol |
| Molecular Formula | C18H27BrO2 |
| Exact Mass | 354.119443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByiwgNumNbs |
|---|---|
| Name | 4-Bromobenzoic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.119443107 u |
| Formula | C18H27BrO2 |
| InChI | InChI=1S/C18H27BrO2/c1-2-3-4-5-6-7-8-9-10-15-21-18(20)16-11-13-17(19)14-12-16/h11-14H,2-10,15H2,1H3 |
| InChIKey | NKFCOUQGADHZKN-UHFFFAOYSA-N |
| Molecular Weight | 355.316 g/mol |
| SMILES | C(CCCCCCCCCC)OC(=O)C1=CC=C(C=C1)Br |