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N-((Z)-1,3-Dioxo-4-((E)-3-phenylallylidene)-3,4-dihydroisoquinolin-2(1H)-yl)-4-methylbenzenesulfonamide
SpectraBase Compound ID L7Vi3P6Erop
InChI InChI=1S/C25H20N2O4S/c1-18-14-16-20(17-15-18)32(30,31)26-27-24(28)22-12-6-5-11-21(22)23(25(27)29)13-7-10-19-8-3-2-4-9-19/h2-17,26H,1H3/b10-7+,23-13-
InChIKey BGOZTEAYRHKJGT-LZNIEJQKSA-N
Mol Weight 444.51 g/mol
Molecular Formula C25H20N2O4S
Exact Mass 444.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BozLbpbxiyO
Name N-((Z)-1,3-Dioxo-4-((E)-3-phenylallylidene)-3,4-dihydroisoquinolin-2(1H)-yl)-4-methylbenzenesulfonamide
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N2O4S
InChI InChI=1S/C25H20N2O4S/c1-18-14-16-20(17-15-18)32(30,31)26-27-24(28)22-12-6-5-11-21(22)23(25(27)29)13-7-10-19-8-3-2-4-9-19/h2-17,26H,1H3/b10-7+,23-13-
InChIKey BGOZTEAYRHKJGT-LZNIEJQKSA-N
Instrument Name Shimadzu GC??MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3448
Molecular Weight 444.505 g/mol
SMILES N(N1C(\C(c2ccccc2C1=O)=C/C=C/c1ccccc1)=O)S(c1ccc(C)cc1)(=O)=O
SPLASH splash10-001l-0169300000-568380a7a9533680524f
Source of Spectrum Y-56-801-7
Wiley ID 1859454