| SpectraBase Compound ID | 73OU1tOq1H3 |
|---|---|
| InChI | InChI=1S/C22H35BrO2/c1-3-5-6-7-8-9-10-11-12-16-19(15-4-2)25-22(24)20-17-13-14-18-21(20)23/h13-14,17-19H,3-12,15-16H2,1-2H3 |
| InChIKey | YEMOGIFTUSJYFP-UHFFFAOYSA-N |
| Mol Weight | 411.4 g/mol |
| Molecular Formula | C22H35BrO2 |
| Exact Mass | 410.182043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ba12pq5w57L |
|---|---|
| Name | 2-Bromobenzoic acid, 4-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.182043365 u |
| Formula | C22H35BrO2 |
| InChI | InChI=1S/C22H35BrO2/c1-3-5-6-7-8-9-10-11-12-16-19(15-4-2)25-22(24)20-17-13-14-18-21(20)23/h13-14,17-19H,3-12,15-16H2,1-2H3 |
| InChIKey | YEMOGIFTUSJYFP-UHFFFAOYSA-N |
| Molecular Weight | 411.424 g/mol |
| SMILES | C1=C(C(C(OC(CCCCCCCCCCC)CCC)=O)=CC=C1)Br |