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2H-1-benzopyran-3-acetamide, 7-hydroxy-4,8-dimethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID IBYZ3eT5UkB
InChI InChI=1S/C20H16F3NO5/c1-10-14-7-8-16(25)11(2)18(14)28-19(27)15(10)9-17(26)24-12-3-5-13(6-4-12)29-20(21,22)23/h3-8,25H,9H2,1-2H3,(H,24,26)
InChIKey ONLOLVXOMPKUGK-UHFFFAOYSA-N
Mol Weight 407.35 g/mol
Molecular Formula C20H16F3NO5
Exact Mass 407.098057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJvzpE8DHja
Name 2H-1-Benzopyran-3-acetamide, 7-hydroxy-4,8-dimethyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.098057103 u
Formula C20H16F3NO5
InChI InChI=1S/C20H16F3NO5/c1-10-14-7-8-16(25)11(2)18(14)28-19(27)15(10)9-17(26)24-12-3-5-13(6-4-12)29-20(21,22)23/h3-8,25H,9H2,1-2H3,(H,24,26)
InChIKey ONLOLVXOMPKUGK-UHFFFAOYSA-N
Molecular Weight 407.345 g/mol
SMILES OC=1C(=C2C(C(=C(CC(NC3=CC=C(OC(F)(F)F)C=C3)=O)C(O2)=O)C)=CC1)C