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5,5'-(4,4'-(Propane-1,3-diyl)bis(piperidine-4,1-diyl))bis(1-(4-methoxyphenyl)pent-1-en-3-one) dihydrochloride
SpectraBase Compound ID CzsW2AEbRoN
InChI InChI=1S/C37H50N2O4.2Cl/c1-42-36-14-8-32(9-15-36)6-12-34(40)22-28-38-24-18-30(19-25-38)4-3-5-31-20-26-39(27-21-31)29-23-35(41)13-7-33-10-16-37(43-2)17-11-33;;/h6-17,30-31H,3-5,18-29H2,1-2H3;;/b12-6+,13-7+;;
InChIKey PIKUQCFTNSZQEX-ATFITULDSA-N
Mol Weight 657.72 g/mol
Molecular Formula C37H50Cl2N2O4
Exact Mass 656.314763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Hr4O3EsDrw
Name 5,5'-(4,4'-(Propane-1,3-diyl)bis(piperidine-4,1-diyl))bis(1-(4-methoxyphenyl)pent-1-en-3-one) dihydrochloride
Appearance Yellow powder
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Formula C37H52Cl2N2O4
InChI InChI=1S/C37H50N2O4.2Cl/c1-42-36-14-8-32(9-15-36)6-12-34(40)22-28-38-24-18-30(19-25-38)4-3-5-31-20-26-39(27-21-31)29-23-35(41)13-7-33-10-16-37(43-2)17-11-33;;/h6-17,30-31H,3-5,18-29H2,1-2H3;;/b12-6+,13-7+;;
InChIKey PIKUQCFTNSZQEX-ATFITULDSA-N
Instrument Name GC-MS QP-1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3055
Molecular Weight 659.739 g/mol
SMILES C1CN(CCC1CCCC1CCN(CC1)CCC(\C=C\c1ccc(cc1)OC)=O)CCC(\C=C\c1ccc(cc1)OC)=O.Cl.Cl
SPLASH splash10-00di-0920000000-e0582b4f997c15c4e051
Source of Spectrum Y-55-330-8b
Wiley ID 1878818