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1,2-Benzenediol, o-(6-bromohexanoyl)-o'-(2-fluorobenzoyl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(6-bromohexanoyl)-o'-(2-fluorobenzoyl)-
SpectraBase Compound ID JNNaBL2VO1H
InChI InChI=1S/C19H18BrFO4/c20-13-7-1-2-12-18(22)24-16-10-5-6-11-17(16)25-19(23)14-8-3-4-9-15(14)21/h3-6,8-11H,1-2,7,12-13H2
InChIKey CBKYALPJJCSERQ-UHFFFAOYSA-N
Mol Weight 409.25 g/mol
Molecular Formula C19H18BrFO4
Exact Mass 408.03725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KsSE6328SSP
Name 1,2-Benzenediol, o-(6-bromohexanoyl)-o'-(2-fluorobenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.037250219 u
Formula C19H18BrFO4
InChI InChI=1S/C19H18BrFO4/c20-13-7-1-2-12-18(22)24-16-10-5-6-11-17(16)25-19(23)14-8-3-4-9-15(14)21/h3-6,8-11H,1-2,7,12-13H2
InChIKey CBKYALPJJCSERQ-UHFFFAOYSA-N
Molecular Weight 409.251 g/mol
SMILES C1(=CC=CC=C1OC(=O)CCCCCBr)OC(=O)C1=C(C=CC=C1)F