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Furo[3,4-b]pyridine-2,5(1H,3H)-dione, 4-(2-chlorophenyl)-4,7-dihydro-1-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID EjXLukxXVa3
InChI InChI=1S/C20H13ClF3NO3/c21-15-7-2-1-6-13(15)14-9-17(26)25(16-10-28-19(27)18(14)16)12-5-3-4-11(8-12)20(22,23)24/h1-8,14H,9-10H2
InChIKey CNIUXXDPNLKBKY-UHFFFAOYSA-N
Mol Weight 407.78 g/mol
Molecular Formula C20H13ClF3NO3
Exact Mass 407.053605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vr4BYK7KUi
Name Furo[3,4-B]pyridine-2,5(1H,3H)-dione, 4-(2-chlorophenyl)-4,7-dihydro-1-[3-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.053605469 u
Formula C20H13ClF3NO3
InChI InChI=1S/C20H13ClF3NO3/c21-15-7-2-1-6-13(15)14-9-17(26)25(16-10-28-19(27)18(14)16)12-5-3-4-11(8-12)20(22,23)24/h1-8,14H,9-10H2
InChIKey CNIUXXDPNLKBKY-UHFFFAOYSA-N
Molecular Weight 407.776 g/mol
SMILES C(C=1C=CC=C(C1)N1C2=C(C(CC1=O)C1=C(C=CC=C1)Cl)C(OC2)=O)(F)(F)F