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N-[2-[6,7-dimethoxy-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]-2,2,2-trifluoroacetamide
SpectraBase Compound ID 1Icg0Cddkdo
InChI InChI=1S/C21H18F6N2O4/c1-32-15-9-11-7-8-29(19(31)21(25,26)27)17(13(11)10-16(15)33-2)12-5-3-4-6-14(12)28-18(30)20(22,23)24/h3-6,9-10,17H,7-8H2,1-2H3,(H,28,30)
InChIKey GKRCYMJGGZLFMY-UHFFFAOYSA-N
Mol Weight 476.38 g/mol
Molecular Formula C21H18F6N2O4
Exact Mass 476.117076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSPeTvKYKkx
Name N-[2-[6,7-dimethoxy-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]-2,2,2-trifluoroacetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F6N2O4
InChI InChI=1S/C21H18F6N2O4/c1-32-15-9-11-7-8-29(19(31)21(25,26)27)17(13(11)10-16(15)33-2)12-5-3-4-6-14(12)28-18(30)20(22,23)24/h3-6,9-10,17H,7-8H2,1-2H3,(H,28,30)
InChIKey GKRCYMJGGZLFMY-UHFFFAOYSA-N
Molecular Weight 476.375 g/mol
SMILES N(c1c(C2N(CCc3cc(c(cc23)OC)OC)C(=O)C(F)(F)F)cccc1)C(=O)C(F)(F)F
SPLASH splash10-01t9-0009100000-bcb57335aafc79cd5302
Source of Spectrum F2-42-3481-4
Synonyms N-[2-[6,7-dimethoxy-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]-2,2,2-trifluoro-acetamide N-[2-[6,7-dimethoxy-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]-2,2,2-tris(fluoranyl)ethanamide
Wiley ID 1600361