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1,3-Benzenediol, o-(2-bromobenzoyl)-o'-octanoyl-
SpectraBase Compound ID 4lZypaUhEnw
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5uSBBKSxOZu
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