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1,3-Benzenediol, o-cyclopentanecarbonyl-o'-(3-trifluoromethylbenzoyl)-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-cyclopentanecarbonyl-o'-(3-trifluoromethylbenzoyl)-
SpectraBase Compound ID B9S1sUzLQhD
InChI InChI=1S/C20H17F3O4/c21-20(22,23)15-8-3-7-14(11-15)19(25)27-17-10-4-9-16(12-17)26-18(24)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2
InChIKey VNPBLTNLCQPUKB-UHFFFAOYSA-N
Mol Weight 378.35 g/mol
Molecular Formula C20H17F3O4
Exact Mass 378.107894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6W8pv4XNZT0
Name 1,3-Benzenediol, o-cyclopentanecarbonyl-o'-(3-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.107893512 u
Formula C20H17F3O4
InChI InChI=1S/C20H17F3O4/c21-20(22,23)15-8-3-7-14(11-15)19(25)27-17-10-4-9-16(12-17)26-18(24)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2
InChIKey VNPBLTNLCQPUKB-UHFFFAOYSA-N
Molecular Weight 378.347 g/mol
SMILES C1=C(C=CC=C1OC(=O)C1CCCC1)OC(=O)C1=CC(=CC=C1)C(F)(F)F