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3-(3,5-Dimethyl-2-(2-(4-methylpiperazin-1-yl)ethoxy)benzyl)benzonitrile dihydrochloride
SpectraBase Compound ID Cc8raMpKqJB
InChI InChI=1S/C23H29N3O.2Cl/c1-18-13-19(2)23(27-12-11-26-9-7-25(3)8-10-26)22(14-18)16-20-5-4-6-21(15-20)17-24;;/h4-6,13-15H,7-12,16H2,1-3H3;;
InChIKey RZEHYDOPTCXPPN-UHFFFAOYSA-N
Mol Weight 434.41 g/mol
Molecular Formula C23H29Cl2N3O
Exact Mass 433.168768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23jwmbYZxWa
Name 3-(3,5-Dimethyl-2-(2-(4-methylpiperazin-1-yl)ethoxy)benzyl)benzonitrile dihydrochloride
Appearance Light brown solid
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Exact Mass 433.168767965 u
Formula C23H29Cl2N3O
InChI InChI=1S/C23H29N3O.2Cl/c1-18-13-19(2)23(27-12-11-26-9-7-25(3)8-10-26)22(14-18)16-20-5-4-6-21(15-20)17-24;;/h4-6,13-15H,7-12,16H2,1-3H3;;
InChIKey RZEHYDOPTCXPPN-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 434.411 g/mol
Quality 107
SMILES CC=1C=C(C(=C(C1)CC=1C=C(C=CC1)C#N)OCCN1CCN(CC1)C)C.[Cl].[Cl]
SPLASH splash10-03fr-2900000000-33d09e7ccdc28abaf519
Source of Spectrum CN115243764A
Wiley ID 1894872