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4-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-chloroethyl)-1-isoquinolinone
SpectraBase Compound ID 23yn7sp5KTP
InChI InChI=1S/C21H21Cl3N2O/c22-9-12-25(13-10-23)17-7-5-16(6-8-17)20-15-26(14-11-24)21(27)19-4-2-1-3-18(19)20/h1-8,15H,9-14H2
InChIKey HGKOJCOWVUNRND-UHFFFAOYSA-N
Mol Weight 423.77 g/mol
Molecular Formula C21H21Cl3N2O
Exact Mass 422.071946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKFJzJuvvah
Name 4-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-chloroethyl)-1-isoquinolinone
CAS Registry Number 64345-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21Cl3N2O
InChI InChI=1S/C21H21Cl3N2O/c22-9-12-25(13-10-23)17-7-5-16(6-8-17)20-15-26(14-11-24)21(27)19-4-2-1-3-18(19)20/h1-8,15H,9-14H2
InChIKey HGKOJCOWVUNRND-UHFFFAOYSA-N
Molecular Weight 423.771 g/mol
SMILES C(Cl)CN1C(=O)c2ccccc2C(=C1)c1ccc(N(CCCl)CCCl)cc1
SPLASH splash10-00fr-0008900000-f6fdfaa0c3d6924024d8
Source of Spectrum J-43-674-0
Synonyms 4-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-chloroethyl)isocarbostyril 4-[4-[bis(2-chloroethyl)amino]phenyl]-2-(2-chloroethyl)isoquinolin-1-one
Wiley ID 1378510