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(+)-(2'R)-trans-3-(3'-bromo-2'-(2''-methoxy-2''-phenyl-2''-trifluoromethylacetoxy)-3'-methylbutyl]-2,4,8-trimethoxyquinoline

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(+)-(2'R)-trans-3-(3'-bromo-2'-(2''-methoxy-2''-phenyl-2''-trifluoromethylacetoxy)-3'-methylbutyl]-2,4,8-trimethoxyquinoline
SpectraBase Compound ID 2AJVerP6zWR
InChI InChI=1S/C27H29BrF3NO6/c1-25(2,28)20(38-24(33)26(37-6,27(29,30)31)16-11-8-7-9-12-16)15-18-22(35-4)17-13-10-14-19(34-3)21(17)32-23(18)36-5/h7-14,20H,15H2,1-6H3/t20-,26?/m1/s1
InChIKey UXCMPFAXEQRIAQ-TUHVGIAZSA-N
Mol Weight 600.43 g/mol
Molecular Formula C27H29BrF3NO6
Exact Mass 599.113035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KxhR0a1EqeS
Name (+)-(2'R)-trans-3-(3'-bromo-2'-(2''-methoxy-2''-phenyl-2''-trifluoromethylacetoxy)-3'-methylbutyl]-2,4,8-trimethoxyquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 599.113035141 u
Formula C27H29BrF3NO6
InChI InChI=1S/C27H29BrF3NO6/c1-25(2,28)20(38-24(33)26(37-6,27(29,30)31)16-11-8-7-9-12-16)15-18-22(35-4)17-13-10-14-19(34-3)21(17)32-23(18)36-5/h7-14,20H,15H2,1-6H3/t20-,26?/m1/s1
InChIKey UXCMPFAXEQRIAQ-TUHVGIAZSA-N
Molecular Weight 600.429 g/mol
SMILES C=1(C(=NC2=C(C1OC)C=CC=C2OC)OC)C[C@@](OC(C(C(F)(F)F)(C1=CC=CC=C1)OC)=O)(C(Br)(C)C)[H]