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6,7-Methylenedioxy-1-[(4-trifluoromethyl)styryl]-4-(trifluoromethyl)isoquinoline
SpectraBase Compound ID 3dLvycv7g2Y
InChI InChI=1S/C20H11F6NO2/c21-19(22,23)12-4-1-11(2-5-12)3-6-16-14-8-18-17(28-10-29-18)7-13(14)15(9-27-16)20(24,25)26/h1-9H,10H2/b6-3+
InChIKey KLYXTDNNPSOMOG-ZZXKWVIFSA-N
Mol Weight 411.3 g/mol
Molecular Formula C20H11F6NO2
Exact Mass 411.069398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHeP1iLC0D7
Name 6,7-Methylenedioxy-1-[(4-trifluoromethyl)styryl]-4-(trifluoromethyl)isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H11F6NO2
InChI InChI=1S/C20H11F6NO2/c21-19(22,23)12-4-1-11(2-5-12)3-6-16-14-8-18-17(28-10-29-18)7-13(14)15(9-27-16)20(24,25)26/h1-9H,10H2/b6-3+
InChIKey KLYXTDNNPSOMOG-ZZXKWVIFSA-N
Molecular Weight 411.303 g/mol
SMILES c1(c2c(cc3c(c2)OCO3)c(nc1)\C=C\c1ccc(C(F)(F)F)cc1)C(F)(F)F
SPLASH splash10-03di-0123900000-3d6ad6da4724380bb7c9
Source of Spectrum KC-57-8580-13
Synonyms 8-(trifluoromethyl)-5-{(E)-2-[4-(trifluoromethyl)phenyl]ethenyl}[1,3]dioxolo[4,5-g]isoquinoline
Wiley ID 1626188