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Propan-1-one, 1-[1,2,3,4-tetrahydro-1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-2-isoquinolinyl]-2-methyl-
SpectraBase Compound ID KTVaFrUT6An
InChI InChI=1S/C21H23BrFNO3/c1-12(2)21(25)24-8-7-13-9-18(26-3)19(27-4)11-15(13)20(24)16-10-14(22)5-6-17(16)23/h5-6,9-12,20H,7-8H2,1-4H3
InChIKey NTKJVAPXHXUQAG-UHFFFAOYSA-N
Mol Weight 436.32 g/mol
Molecular Formula C21H23BrFNO3
Exact Mass 435.084535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9G2ySqFySl
Name Propan-1-one, 1-[1,2,3,4-tetrahydro-1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-2-isoquinolinyl]-2-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23BrFNO3
InChI InChI=1S/C21H23BrFNO3/c1-12(2)21(25)24-8-7-13-9-18(26-3)19(27-4)11-15(13)20(24)16-10-14(22)5-6-17(16)23/h5-6,9-12,20H,7-8H2,1-4H3
InChIKey NTKJVAPXHXUQAG-UHFFFAOYSA-N
Molecular Weight 436.321 g/mol
SMILES COc1cc2CCN(C(c2cc1OC)c1c(ccc(c1)Br)F)C(=O)C(C)C
SPLASH splash10-0076-2958400000-4a4d47ff65c83d82ab08
Synonyms 1-(5-Bromo-2-fluorophenyl)-2-isobutyryl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 1-[1-(5-bromanyl-2-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-propan-1-one 1-[1-(5-bromo-2-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-propan-1-one 1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-methyl-1-propanone
Wiley ID 1455715