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2-(4-Methyl-2-(3-(4-methylpiperazin-1-yl)propyl)phenoxy)benzonitrile
SpectraBase Compound ID 5406YAT0E6o
InChI InChI=1S/C22H27N3O/c1-18-9-10-22(26-21-8-4-3-6-20(21)17-23)19(16-18)7-5-11-25-14-12-24(2)13-15-25/h3-4,6,8-10,16H,5,7,11-15H2,1-2H3
InChIKey XKRYLHDWFDHINX-UHFFFAOYSA-N
Mol Weight 349.48 g/mol
Molecular Formula C22H27N3O
Exact Mass 349.215413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID r1RlWXFrWT
Name 2-(4-Methyl-2-(3-(4-methylpiperazin-1-yl)propyl)phenoxy)benzonitrile
Appearance Viscous liquid
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Exact Mass 349.215412500 u
Formula C22H27N3O
InChI InChI=1S/C22H27N3O/c1-18-9-10-22(26-21-8-4-3-6-20(21)17-23)19(16-18)7-5-11-25-14-12-24(2)13-15-25/h3-4,6,8-10,16H,5,7,11-15H2,1-2H3
InChIKey XKRYLHDWFDHINX-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 349.478 g/mol
Quality 137
SMILES CC1=CC(=C(C=C1)OC1=C(C=CC=C1)C#N)CCCN1CCN(CC1)C
SPLASH splash10-03fr-2901000000-15c3c6fc26a9fd7e9737
Source of Spectrum CN115243764A
Wiley ID 1894885