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(E)-2-Amino-4-(4-bromophenyl)-9-(4-chlorostyryl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SpectraBase Compound ID HwIK19N4rXZ
InChI InChI=1S/C27H17BrClN3O/c28-19-8-4-17(5-9-19)24-22-14-7-18-6-13-21(12-3-16-1-10-20(29)11-2-16)32-25(18)26(22)33-27(31)23(24)15-30/h1-14,24H,31H2/b12-3+
InChIKey ZFSZEFMFLMAUSC-KGVSQERTSA-N
Mol Weight 514.81 g/mol
Molecular Formula C27H17BrClN3O
Exact Mass 513.024353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kn0MLJEmhFK
Name (E)-2-Amino-4-(4-bromophenyl)-9-(4-chlorostyryl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
Appearance Pale yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H17BrClN3O
InChI InChI=1S/C27H17BrClN3O/c28-19-8-4-17(5-9-19)24-22-14-7-18-6-13-21(12-3-16-1-10-20(29)11-2-16)32-25(18)26(22)33-27(31)23(24)15-30/h1-14,24H,31H2/b12-3+
InChIKey ZFSZEFMFLMAUSC-KGVSQERTSA-N
Instrument Name Shimadzu GC/MS-QP5050A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.b12
Molecular Weight 514.810 g/mol
SMILES NC=1Oc2c3c(ccc2C(C1C#N)c1ccc(cc1)Br)ccc(n3)\C=C\c1ccc(cc1)Cl
SPLASH splash10-0pdi-7309000000-e82ac23aa66e8b5632d5
Source of Spectrum ARK-2011-143-8b
Wiley ID 1866955