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4,4'-(3,3'-(2,2'-(4,4'-(Propane-1,3-diyl)bis(piperidine-4,1-diyl))bis(ethane-2,1-diyl))-bis(1-phenyl-4,5-dihydro-1H-pyrazole-5,3-diyl))bis(2-methoxyphenol) dihydrochloride
SpectraBase Compound ID 561BpspQ9ZQ
InChI InChI=1S/C49H62N6O4.2Cl/c1-58-48-32-38(16-18-46(48)56)44-34-40(50-54(44)42-12-5-3-6-13-42)24-30-52-26-20-36(21-27-52)10-9-11-37-22-28-53(29-23-37)31-25-41-35-45(39-17-19-47(57)49(33-39)59-2)55(51-41)43-14-7-4-8-15-43;;/h3-8,12-19,32-33,36-37,44-45,56-57H,9-11,20-31,34-35H2,1-2H3;;
InChIKey RYAYMYNDSAEJCR-UHFFFAOYSA-N
Mol Weight 870.0 g/mol
Molecular Formula C49H62Cl2N6O4
Exact Mass 868.42096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfdfVaqeKmm
Name 4,4'-(3,3'-(2,2'-(4,4'-(Propane-1,3-diyl)bis(piperidine-4,1-diyl))bis(ethane-2,1-diyl))-bis(1-phenyl-4,5-dihydro-1H-pyrazole-5,3-diyl))bis(2-methoxyphenol) dihydrochloride
Appearance Pale-yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H64Cl2N6O4
InChI InChI=1S/C49H62N6O4.2Cl/c1-58-48-32-38(16-18-46(48)56)44-34-40(50-54(44)42-12-5-3-6-13-42)24-30-52-26-20-36(21-27-52)10-9-11-37-22-28-53(29-23-37)31-25-41-35-45(39-17-19-47(57)49(33-39)59-2)55(51-41)43-14-7-4-8-15-43;;/h3-8,12-19,32-33,36-37,44-45,56-57H,9-11,20-31,34-35H2,1-2H3;;
InChIKey RYAYMYNDSAEJCR-UHFFFAOYSA-N
Instrument Name GC-MS QP-1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3055
Molecular Weight 871.995 g/mol
SMILES Cl.Cl.Oc1ccc(C2N(N=C(CCN3CCC(CCCC4CCN(CCC=5CC(c6cc(c(cc6)O)OC)N(N5)c5ccccc5)CC4)CC3)C2)c2ccccc2)cc1OC
SPLASH splash10-00di-9620000000-9882bd7cc5ea2cf76a12
Source of Spectrum Y-55-331-9
Wiley ID 1878820