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Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydro-2-(2,2,2-trifluoroacetyl)-
SpectraBase Compound ID IKIzFEHFGJ
InChI InChI=1S/C26H32F3NO5/c1-5-32-21-10-9-17(14-22(21)33-6-2)13-20-19-16-24(35-8-4)23(34-7-3)15-18(19)11-12-30(20)25(31)26(27,28)29/h9-10,14-16,20H,5-8,11-13H2,1-4H3
InChIKey ATMAXLRHQMILJJ-UHFFFAOYSA-N
Mol Weight 495.5 g/mol
Molecular Formula C26H32F3NO5
Exact Mass 495.223258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xix2QAJFNc
Name Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydro-2-(2,2,2-trifluoroacetyl)-
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Formula C26H32F3NO5
InChI InChI=1S/C26H32F3NO5/c1-5-32-21-10-9-17(14-22(21)33-6-2)13-20-19-16-24(35-8-4)23(34-7-3)15-18(19)11-12-30(20)25(31)26(27,28)29/h9-10,14-16,20H,5-8,11-13H2,1-4H3
InChIKey ATMAXLRHQMILJJ-UHFFFAOYSA-N
Molecular Weight 495.539 g/mol
SMILES CCOc1cc2C(N(C(C(F)(F)F)=O)CCc2cc1OCC)Cc1cc(OCC)c(cc1)OCC
SPLASH splash10-014i-1539000000-4cfbf30003e7b7cc7d61
Source of Spectrum IY-1-4680-8
Synonyms 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-trifluoroethanone 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-trifluoro-ethanone 1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2,2,2-tris(fluoranyl)ethanone
Wiley ID 1654791