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2-(3,5-Dimethyl-2-(2-(4-methylpiperazin-1-yl)ethoxy)benzyl)benzonitrile hydrochloride
SpectraBase Compound ID 7hDhLvY2Yno
InChI InChI=1S/C23H29N3O.Cl/c1-18-14-19(2)23(27-13-12-26-10-8-25(3)9-11-26)22(15-18)16-20-6-4-5-7-21(20)17-24;/h4-7,14-15H,8-13,16H2,1-3H3;
InChIKey KQCSDUBTPRPCJH-UHFFFAOYSA-N
Mol Weight 398.96 g/mol
Molecular Formula C23H29ClN3O
Exact Mass 398.199915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjlNoHGd5zN
Name 2-(3,5-Dimethyl-2-(2-(4-methylpiperazin-1-yl)ethoxy)benzyl)benzonitrile hydrochloride
Appearance Light brown solid
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Exact Mass 398.199915265 u
Formula C23H29ClN3O
InChI InChI=1S/C23H29N3O.Cl/c1-18-14-19(2)23(27-13-12-26-10-8-25(3)9-11-26)22(15-18)16-20-6-4-5-7-21(20)17-24;/h4-7,14-15H,8-13,16H2,1-3H3;
InChIKey KQCSDUBTPRPCJH-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 398.958 g/mol
Quality 108
SMILES CC=1C=C(C(=C(C1)CC1=C(C=CC=C1)C#N)OCCN1CCN(CC1)C)C.[Cl]
SPLASH splash10-03fr-2900000000-905103dbb67e6c91cb98
Source of Spectrum CN115243764A
Wiley ID 1894857