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(-)-(2'S)-trans-3-(3'-Bromo-2'-(2"-methoxy-2"-phenyl-2"-trifluoromethylacetoxy)-3'-methylbutyl]-2,4,8-trimethoxyquinoline

View entire compound with spectra: 1 MS (GC)

(-)-(2'S)-trans-3-(3'-Bromo-2'-(2"-methoxy-2"-phenyl-2"-trifluoromethylacetoxy)-3'-methylbutyl]-2,4,8-trimethoxyquinoline
SpectraBase Compound ID LComDnlUL8C
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?/m0/s1
InChIKey UXCMPFAXEQRIAQ-DQUNLGLBSA-N
Mol Weight 600.43 g/mol
Molecular Formula C27H29BrF3NO6
Exact Mass 599.113035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4I8Yk72M8iU
Name (-)-(2'S)-trans-3-(3'-Bromo-2'-(2"-methoxy-2"-phenyl-2"-trifluoromethylacetoxy)-3'-methylbutyl]-2,4,8-trimethoxyquinoline
Alternate Name(s) (-)-(2'S)-trans-3-(3'-Bromo-2'-(2''-methoxy-2''-phenyl-2''-trifluoromethylacetoxy)-3'-methylbutyl]-2,4,8-trimethoxyquinoline (1S)-2-bromo-2-methyl-1-[(2,4,8-trimethoxy-3-quinolinyl)methyl]propyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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?/m0/s1
InChIKey UXCMPFAXEQRIAQ-DQUNLGLBSA-N
Molecular Weight 600.429 g/mol
SMILES c1(c(nc2c(c1OC)cccc2OC)OC)C[C@](OC(C(C(F)(F)F)(c1ccccc1)OC)=O)(C(Br)(C)C)[H]
SPLASH splash10-0f7a-0090047000-c4857627d4e07ac06824
Source of Spectrum F-50-11226-1
Wiley ID 789533