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N'-(1'-Hexylheptyl)-N-[2"-phenyl-1",3"-dioxolan-4"-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N'-(1'-Hexylheptyl)-N-[2"-phenyl-1",3"-dioxolan-4"-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide)
SpectraBase Compound ID 1aGSqtZlrmV
InChI InChI=1S/C47H46N2O6/c1-3-5-7-12-16-29(17-13-8-6-4-2)49-45(52)37-24-20-33-31-18-22-35-41-36(23-19-32(39(31)41)34-21-25-38(46(49)53)42(37)40(33)34)44(51)48(43(35)50)26-30-27-54-47(55-30)28-14-10-9-11-15-28/h9-11,14-15,18-25,29-30,47H,3-8,12-13,16-17,26-27H2,1-2H3
InChIKey UVGADVOUJLRXPK-UHFFFAOYSA-N
Mol Weight 734.9 g/mol
Molecular Formula C47H46N2O6
Exact Mass 734.335587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7e14mscNcla
Name N'-(1'-Hexylheptyl)-N-[2''-phenyl-1'',3''-dioxolan-4''-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 734.335587203 u
Formula C47H46N2O6
InChI InChI=1S/C47H46N2O6/c1-3-5-7-12-16-29(17-13-8-6-4-2)49-45(52)37-24-20-33-31-18-22-35-41-36(23-19-32(39(31)41)34-21-25-38(46(49)53)42(37)40(33)34)44(51)48(43(35)50)26-30-27-54-47(55-30)28-14-10-9-11-15-28/h9-11,14-15,18-25,29-30,47H,3-8,12-13,16-17,26-27H2,1-2H3
InChIKey UVGADVOUJLRXPK-UHFFFAOYSA-N
Molecular Weight 734.893 g/mol
SMILES C1(N(C(C2=CC=C3C=4C=5C=6C(C(N(C(C6C=CC5C=5C=CC1=C2C35)=O)C(CCCCCC)CCCCCC)=O)=CC4)=O)CC1OC(C2=CC=CC=C2)OC1)=O