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1,4-Bis(2-(5-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethyl)-piperazine dihydrochloride
SpectraBase Compound ID LvmuWSGDPcG
InChI InChI=1S/C40H46N6O2.2Cl/c1-47-37-17-13-31(14-18-37)39-29-33(41-45(39)35-9-5-3-6-10-35)21-23-43-25-27-44(28-26-43)24-22-34-30-40(32-15-19-38(48-2)20-16-32)46(42-34)36-11-7-4-8-12-36;;/h3-20,39-40H,21-30H2,1-2H3;;
InChIKey IEJUXYHLPJZHBZ-UHFFFAOYSA-N
Mol Weight 713.75 g/mol
Molecular Formula C40H46Cl2N6O2
Exact Mass 712.30593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhYPDPAIgT4
Name 1,4-Bis(2-(5-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ethyl)-piperazine dihydrochloride
Appearance Pale-yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H48Cl2N6O2
InChI InChI=1S/C40H46N6O2.2Cl/c1-47-37-17-13-31(14-18-37)39-29-33(41-45(39)35-9-5-3-6-10-35)21-23-43-25-27-44(28-26-43)24-22-34-30-40(32-15-19-38(48-2)20-16-32)46(42-34)36-11-7-4-8-12-36;;/h3-20,39-40H,21-30H2,1-2H3;;
InChIKey IEJUXYHLPJZHBZ-UHFFFAOYSA-N
Instrument Name GC-MS QP-1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3055
Molecular Weight 715.770 g/mol
SMILES Cl.C1CN(CCN1CCC1=NN(C(C1)c1ccc(cc1)OC)c1ccccc1)CCC=1CC(N(N1)c1ccccc1)c1ccc(cc1)OC.Cl
SPLASH splash10-044s-9120000000-dbbaa8fbf04171917759
Source of Spectrum Y-55-330-7
Wiley ID 1878816