| SpectraBase Compound ID | 8VCwfRsSD6L |
|---|---|
| InChI | InChI=1S/C21H23BrO4/c1-2-3-4-5-6-15-20(23)25-18-13-9-10-14-19(18)26-21(24)16-11-7-8-12-17(16)22/h7-14H,2-6,15H2,1H3 |
| InChIKey | RJJUJWAKUSPCLT-UHFFFAOYSA-N |
| Mol Weight | 419.32 g/mol |
| Molecular Formula | C21H23BrO4 |
| Exact Mass | 418.077972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IOoSCLHsgJV |
|---|---|
| Name | 1,2-Benzenediol, o-(2-brombenzoyl)-o'-octanoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.077972217 u |
| Formula | C21H23BrO4 |
| InChI | InChI=1S/C21H23BrO4/c1-2-3-4-5-6-15-20(23)25-18-13-9-10-14-19(18)26-21(24)16-11-7-8-12-17(16)22/h7-14H,2-6,15H2,1H3 |
| InChIKey | RJJUJWAKUSPCLT-UHFFFAOYSA-N |
| Molecular Weight | 419.315 g/mol |
| SMILES | C1(=CC=CC=C1OC(CCCCCCC)=O)OC(=O)C1=C(C=CC=C1)Br |