SpectraBase Compound ID | 4lZypaUhEnw |
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InChI | InChI=1S/C21H23BrO4/c1-2-3-4-5-6-14-20(23)25-16-10-9-11-17(15-16)26-21(24)18-12-7-8-13-19(18)22/h7-13,15H,2-6,14H2,1H3 |
InChIKey | QIEFNAMABSOXQQ-UHFFFAOYSA-N |
Mol Weight | 419.32 g/mol |
Molecular Formula | C21H23BrO4 |
Exact Mass | 418.077972 g/mol |
SpectraBase Spectrum ID | 5uSBBKSxOZu |
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Name | 1,3-Benzenediol, o-(2-bromobenzoyl)-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/c1-2-3-4-5-6-14-20(23)25-16-10-9-11-17(15-16)26-21(24)18-12-7-8-13-19(18)22/h7-13,15H,2-6,14H2,1H3 |
InChIKey | QIEFNAMABSOXQQ-UHFFFAOYSA-N |
Molecular Weight | 419.315 g/mol |
SMILES | C1(=CC(=CC=C1)OC(C1=CC=CC=C1Br)=O)OC(CCCCCCC)=O |