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4-[p-Bis(2-hydroxyethyl)amino]phenyl-1-bromoisoquinoline
SpectraBase Compound ID 7z5a9d0CMIA
InChI InChI=1S/C19H19BrN2O2/c20-19-17-4-2-1-3-16(17)18(13-21-19)14-5-7-15(8-6-14)22(9-11-23)10-12-24/h1-8,13,23-24H,9-12H2
InChIKey UXXFDAUISQZUGH-UHFFFAOYSA-N
Mol Weight 387.28 g/mol
Molecular Formula C19H19BrN2O2
Exact Mass 386.062991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AclEd7YRJGi
Name 4-[p-Bis(2-hydroxyethyl)amino]phenyl-1-bromoisoquinoline
CAS Registry Number 64345-78-4
Comments Less than 3 mono-isotopic peaks
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Formula C19H19BrN2O2
InChI InChI=1S/C19H19BrN2O2/c20-19-17-4-2-1-3-16(17)18(13-21-19)14-5-7-15(8-6-14)22(9-11-23)10-12-24/h1-8,13,23-24H,9-12H2
InChIKey UXXFDAUISQZUGH-UHFFFAOYSA-N
Molecular Weight 387.277 g/mol
SMILES OCCN(CCO)c1ccc(-c2c3c(cccc3)c(nc2)Br)cc1
SPLASH splash10-0a4r-0009000000-874a7389d36e8169f139
Source of Spectrum J-43-674-0
Synonyms 2-[4-(1-bromo-4-isoquinolinyl)(2-hydroxyethyl)anilino]ethanol
Wiley ID 1362495