For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(5-Methyl-2-(2-(4-methylpiperazin-1-yl)ethoxy)benzyl)benzonitrile dihydrochloride
SpectraBase Compound ID ARzQdnFY1FI
InChI InChI=1S/C22H27N3O.2Cl/c1-18-7-8-22(26-14-13-25-11-9-24(2)10-12-25)21(15-18)16-19-5-3-4-6-20(19)17-23;;/h3-8,15H,9-14,16H2,1-2H3;;
InChIKey WBJYOLZRXQGGRW-UHFFFAOYSA-N
Mol Weight 420.38 g/mol
Molecular Formula C22H27Cl2N3O
Exact Mass 419.153118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2lg3Rmm4p1D
Name 2-(5-Methyl-2-(2-(4-methylpiperazin-1-yl)ethoxy)benzyl)benzonitrile dihydrochloride
Appearance Light brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.153117900 u
Formula C22H27Cl2N3O
InChI InChI=1S/C22H27N3O.2Cl/c1-18-7-8-22(26-14-13-25-11-9-24(2)10-12-25)21(15-18)16-19-5-3-4-6-20(19)17-23;;/h3-8,15H,9-14,16H2,1-2H3;;
InChIKey WBJYOLZRXQGGRW-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 420.384 g/mol
Quality 111
SMILES CC=1C=CC(=C(C1)CC1=C(C=CC=C1)C#N)OCCN1CCN(CC1)C.[Cl].[Cl]
SPLASH splash10-03fr-2900000000-59ba3e972f91fc8dfaf1
Source of Spectrum CN115243764A
Wiley ID 1894863