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6,7-Dimethoxy-2-[(2,4,6-trimethylphenyl)carbonyl]-1-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID A7jTZfHY16p
InChI InChI=1S/C23H24F3NO4/c1-12-8-13(2)19(14(3)9-12)22(29)27-7-6-15-10-17(30-4)18(31-5)11-16(15)20(27)21(28)23(24,25)26/h8-11,20H,6-7H2,1-5H3
InChIKey ZOXRWZCUXZMPGD-UHFFFAOYSA-N
Mol Weight 435.44 g/mol
Molecular Formula C23H24F3NO4
Exact Mass 435.165743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3VXX5XmF6k
Name 6,7-Dimethoxy-2-[(2,4,6-trimethylphenyl)carbonyl]-1-trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 435.165742742 u
Formula C23H24F3NO4
InChI InChI=1S/C23H24F3NO4/c1-12-8-13(2)19(14(3)9-12)22(29)27-7-6-15-10-17(30-4)18(31-5)11-16(15)20(27)21(28)23(24,25)26/h8-11,20H,6-7H2,1-5H3
InChIKey ZOXRWZCUXZMPGD-UHFFFAOYSA-N
Molecular Weight 435.443 g/mol
SMILES C(N1C(C(C(F)(F)F)=O)C=2C=C(OC)C(=CC2CC1)OC)(C=1C(=CC(=CC1C)C)C)=O