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2-(5-Methyl-2-(3-(4-methylpiperazin-1-yl)propyl)phenoxy)benzonitrile hydrochloride
SpectraBase Compound ID LZROcVOFJzp
InChI InChI=1S/C22H27N3O.Cl/c1-18-9-10-19(7-5-11-25-14-12-24(2)13-15-25)22(16-18)26-21-8-4-3-6-20(21)17-23;/h3-4,6,8-10,16H,5,7,11-15H2,1-2H3;
InChIKey JKSXDJIQRQREDI-UHFFFAOYSA-N
Mol Weight 384.93 g/mol
Molecular Formula C22H27ClN3O
Exact Mass 384.184265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChUvWJmqoTB
Name 2-(5-Methyl-2-(3-(4-methylpiperazin-1-yl)propyl)phenoxy)benzonitrile hydrochloride
Appearance White solid
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Exact Mass 384.184265200 u
Formula C22H27ClN3O
InChI InChI=1S/C22H27N3O.Cl/c1-18-9-10-19(7-5-11-25-14-12-24(2)13-15-25)22(16-18)26-21-8-4-3-6-20(21)17-23;/h3-4,6,8-10,16H,5,7,11-15H2,1-2H3;
InChIKey JKSXDJIQRQREDI-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 384.931 g/mol
Quality 113
SMILES CC=1C=CC(=C(C1)OC1=C(C=CC=C1)C#N)CCCN1CCN(CC1)C.[Cl]
SPLASH splash10-03di-3900000000-902161e8f893d659dedf
Source of Spectrum CN115243764A
Wiley ID 1894884