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1,3-Benzenediol, o-(2,6-difluorobenzoyl)-o'-(4-ethylbenzoyl)-
SpectraBase Compound ID 7vAstjgLoNL
InChI InChI=1S/C22H16F2O4/c1-2-14-9-11-15(12-10-14)21(25)27-16-5-3-6-17(13-16)28-22(26)20-18(23)7-4-8-19(20)24/h3-13H,2H2,1H3
InChIKey JUNOMOLXLGEXSN-UHFFFAOYSA-N
Mol Weight 382.36 g/mol
Molecular Formula C22H16F2O4
Exact Mass 382.101665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgGmfL3m1fv
Name 1,3-Benzenediol, o-(2,6-difluorobenzoyl)-o'-(4-ethylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.101665317 u
Formula C22H16F2O4
InChI InChI=1S/C22H16F2O4/c1-2-14-9-11-15(12-10-14)21(25)27-16-5-3-6-17(13-16)28-22(26)20-18(23)7-4-8-19(20)24/h3-13H,2H2,1H3
InChIKey JUNOMOLXLGEXSN-UHFFFAOYSA-N
Molecular Weight 382.363 g/mol
SMILES C1=C(C=C(C=C1)OC(C1=C(C=CC=C1F)F)=O)OC(=O)C1=CC=C(CC)C=C1