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N'-(1'-Hexylheptyl)-N-[2"-ethyl-1",3"-dioxolan-4"-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide)
SpectraBase Compound ID KLbL6m4Twck
InChI InChI=1S/C43H46N2O6/c1-4-7-9-11-13-25(14-12-10-8-5-2)45-42(48)33-21-17-29-27-15-19-31-38-32(41(47)44(40(31)46)23-26-24-50-35(6-3)51-26)20-16-28(36(27)38)30-18-22-34(43(45)49)39(33)37(29)30/h15-22,25-26,35H,4-14,23-24H2,1-3H3
InChIKey HZSYHUYIHAJHBE-UHFFFAOYSA-N
Mol Weight 686.8 g/mol
Molecular Formula C43H46N2O6
Exact Mass 686.335587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JP8P1wNaKZa
Name N'-(1'-Hexylheptyl)-N-[2"-ethyl-1",3"-dioxolan-4"-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H46N2O6
InChI InChI=1S/C43H46N2O6/c1-4-7-9-11-13-25(14-12-10-8-5-2)45-42(48)33-21-17-29-27-15-19-31-38-32(41(47)44(40(31)46)23-26-24-50-35(6-3)51-26)20-16-28(36(27)38)30-18-22-34(43(45)49)39(33)37(29)30/h15-22,25-26,35H,4-14,23-24H2,1-3H3
InChIKey HZSYHUYIHAJHBE-UHFFFAOYSA-N
Molecular Weight 686.849 g/mol
SMILES C1(N(C(c2ccc3c4c5c6c(C(N(C(c6ccc5c5ccc1c2c35)=O)C(CCCCCC)CCCCCC)=O)cc4)=O)CC1OC(CC)OC1)=O
SPLASH splash10-052r-0002319000-e777e5e6b432498b2360
Source of Spectrum Y2-71-631-4
Wiley ID 1587555