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2-[.alpha.-(p-bromophenyl)-.beta.-morpholinoethenyl]isoquinoline-1(2H)-thione
SpectraBase Compound ID BTjl4jChUYO
InChI InChI=1S/C21H19BrN2OS/c22-18-7-5-17(6-8-18)20(15-23-11-13-25-14-12-23)24-10-9-16-3-1-2-4-19(16)21(24)26/h1-10,15H,11-14H2/b20-15+
InChIKey BOKKCTDNGCUTPD-HMMYKYKNSA-N
Mol Weight 427.36 g/mol
Molecular Formula C21H19BrN2OS
Exact Mass 426.040147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SZtnQMVaQ5
Name 2-[.alpha.-(p-bromophenyl)-.beta.-morpholinoethenyl]isoquinoline-1(2H)-thione
CAS Registry Number 107454-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19BrN2OS
InChI InChI=1S/C21H19BrN2OS/c22-18-7-5-17(6-8-18)20(15-23-11-13-25-14-12-23)24-10-9-16-3-1-2-4-19(16)21(24)26/h1-10,15H,11-14H2/b20-15+
InChIKey BOKKCTDNGCUTPD-HMMYKYKNSA-N
Molecular Weight 427.360 g/mol
SMILES C1(N(C=Cc2ccccc12)\C(=C\N1CCOCC1)c1ccc(cc1)Br)=S
SPLASH splash10-0006-0119000000-d519c7037109eb6e1658
Source of Spectrum J-52-2017-10
Synonyms 2-[(E)-1-(4-bromophenyl)-2-(4-morpholinyl)ethenyl]-1(2H)-isoquinolinethione 2-[.alpha.-(p-bromophenyl)-.beta.-morpholinoethenyl]isoquinoline-1(2H)-tgione
Wiley ID 1379849