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5,5'-(4,4'-(Propane-1,3-diyl)bis(piperidine-4,1-diyl))bis(1-(benzo[d][1,3]dioxol-5-yl)pent-1-en-3-one) dihydrochloride
SpectraBase Compound ID LMFa8azOp3s
InChI InChI=1S/C37H46N2O6.2Cl/c40-32(8-4-30-6-10-34-36(24-30)44-26-42-34)16-22-38-18-12-28(13-19-38)2-1-3-29-14-20-39(21-15-29)23-17-33(41)9-5-31-7-11-35-37(25-31)45-27-43-35;;/h4-11,24-25,28-29H,1-3,12-23,26-27H2;;/b8-4+,9-5+;;
InChIKey WYVHHDAENLLPJX-OLVGFBEPSA-N
Mol Weight 685.69 g/mol
Molecular Formula C37H46Cl2N2O6
Exact Mass 684.273293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2elSel1dfE
Name 5,5'-(4,4'-(Propane-1,3-diyl)bis(piperidine-4,1-diyl))bis(1-(benzo[d][1,3]dioxol-5-yl)pent-1-en-3-one) dihydrochloride
Appearance Yellow powder
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Formula C37H48Cl2N2O6
InChI InChI=1S/C37H46N2O6.2Cl/c40-32(8-4-30-6-10-34-36(24-30)44-26-42-34)16-22-38-18-12-28(13-19-38)2-1-3-29-14-20-39(21-15-29)23-17-33(41)9-5-31-7-11-35-37(25-31)45-27-43-35;;/h4-11,24-25,28-29H,1-3,12-23,26-27H2;;/b8-4+,9-5+;;
InChIKey WYVHHDAENLLPJX-OLVGFBEPSA-N
Instrument Name GC-MS QP-1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3055
Molecular Weight 687.705 g/mol
SMILES C1CN(CCC1CCCC1CCN(CC1)CCC(\C=C\c1ccc2c(c1)OCO2)=O)CCC(\C=C\c1cc2c(cc1)OCO2)=O.Cl.Cl
SPLASH splash10-0f9i-9650000000-9ca2a1d44f3a37830dee
Source of Spectrum Y-55-331-8c
Wiley ID 1878819