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N'-(1'-Hexylheptyl)-N-[2"-methyl-1",3"-dioxolan-4"-yl]methyl}-perylene-3,4 : 9,10-bis(dicarboxamide)
SpectraBase Compound ID IL2zlJe6Xeo
InChI InChI=1S/C42H44N2O6/c1-4-6-8-10-12-25(13-11-9-7-5-2)44-41(47)33-20-16-29-27-14-18-31-37-32(40(46)43(39(31)45)22-26-23-49-24(3)50-26)19-15-28(35(27)37)30-17-21-34(42(44)48)38(33)36(29)30/h14-21,24-26H,4-13,22-23H2,1-3H3
InChIKey MSAIMVAHJPRFOA-UHFFFAOYSA-N
Mol Weight 672.8 g/mol
Molecular Formula C42H44N2O6
Exact Mass 672.319937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWZq26kFTWp
Name N'-(1'-Hexylheptyl)-N-[2"-methyl-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 C42H44N2O6
InChI InChI=1S/C42H44N2O6/c1-4-6-8-10-12-25(13-11-9-7-5-2)44-41(47)33-20-16-29-27-14-18-31-37-32(40(46)43(39(31)45)22-26-23-49-24(3)50-26)19-15-28(35(27)37)30-17-21-34(42(44)48)38(33)36(29)30/h14-21,24-26H,4-13,22-23H2,1-3H3
InChIKey MSAIMVAHJPRFOA-UHFFFAOYSA-N
Molecular Weight 672.822 g/mol
SMILES C1(N(C(c2ccc3c4ccc5C(N(C(c6ccc(c7ccc1c2c37)c4c56)=O)C(CCCCCC)CCCCCC)=O)=O)CC1OC(C)OC1)=O
SPLASH splash10-00dl-0007719000-444094b340d6b216a159
Source of Spectrum Y2-71-633-4
Wiley ID 1587553