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N-[3,5-bis(trifluoromethyl)phenyl]-6-chloro-2-oxo-2H-chromene-3-carboxamide

View entire compound with spectra: 2 NMR

N-[3,5-bis(trifluoromethyl)phenyl]-6-chloro-2-oxo-2H-chromene-3-carboxamide
SpectraBase Compound ID qwFXyLgBcc
InChI InChI=1S/C18H8ClF6NO3/c19-11-1-2-14-8(3-11)4-13(16(28)29-14)15(27)26-12-6-9(17(20,21)22)5-10(7-12)18(23,24)25/h1-7H,(H,26,27)
InChIKey WEIVXLHLFIPEJA-UHFFFAOYSA-N
Mol Weight 435.71 g/mol
Molecular Formula C18H8ClF6NO3
Exact Mass 435.00969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1c8DswnbM19
Name N-[3,5-bis(Trifluoromethyl)phenyl]-6-chloro-2-oxo-2H-chromene-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.009689797 u
Formula C18H8ClF6NO3
InChI InChI=1S/C18H8ClF6NO3/c19-11-1-2-14-8(3-11)4-13(16(28)29-14)15(27)26-12-6-9(17(20,21)22)5-10(7-12)18(23,24)25/h1-7H,(H,26,27)
InChIKey WEIVXLHLFIPEJA-UHFFFAOYSA-N
Molecular Weight 435.709 g/mol
SMILES N(C(C=1C(OC2=C(C1)C=C(C=C2)Cl)=O)=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1