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1,2-Benzenediol, o-(4-ethylbenzoyl)-o'-(2-trifluoromethylbenzoyl)-

View entire compound with spectra: 1 NMR

1,2-Benzenediol, o-(4-ethylbenzoyl)-o'-(2-trifluoromethylbenzoyl)-
SpectraBase Compound ID AIpIpLsaD5m
InChI InChI=1S/C23H17F3O4/c1-2-15-11-13-16(14-12-15)21(27)29-19-9-5-6-10-20(19)30-22(28)17-7-3-4-8-18(17)23(24,25)26/h3-14H,2H2,1H3
InChIKey YUOWDSMIKVGEBI-UHFFFAOYSA-N
Mol Weight 414.38 g/mol
Molecular Formula C23H17F3O4
Exact Mass 414.107894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UzaJMwI8Og
Name 1,2-Benzenediol, o-(4-ethylbenzoyl)-o'-(2-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.107893512 u
Formula C23H17F3O4
InChI InChI=1S/C23H17F3O4/c1-2-15-11-13-16(14-12-15)21(27)29-19-9-5-6-10-20(19)30-22(28)17-7-3-4-8-18(17)23(24,25)26/h3-14H,2H2,1H3
InChIKey YUOWDSMIKVGEBI-UHFFFAOYSA-N
Molecular Weight 414.380 g/mol
SMILES CCC1=CC=C(C(OC2=CC=CC=C2OC(=O)C2=C(C(F)(F)F)C=CC=C2)=O)C=C1