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N'-Methyl-N-(1'-hexylheptyl)perylene-3,4 : 9,10-bis(dicarboximide)
SpectraBase Compound ID 3KRtshyXJas
InChI InChI=1S/C38H38N2O4/c1-4-6-8-10-12-22(13-11-9-7-5-2)40-37(43)29-20-16-25-23-14-18-27-33-28(36(42)39(3)35(27)41)19-15-24(31(23)33)26-17-21-30(38(40)44)34(29)32(25)26/h14-22H,4-13H2,1-3H3
InChIKey AJEWHJZTIYTUCI-UHFFFAOYSA-N
Mol Weight 586.7 g/mol
Molecular Formula C38H38N2O4
Exact Mass 586.283158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwRFiIRnr6f
Name N'-Methyl-N-(1'-hexylheptyl)perylene-3,4 : 9,10-bis(dicarboximide)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H38N2O4
InChI InChI=1S/C38H38N2O4/c1-4-6-8-10-12-22(13-11-9-7-5-2)40-37(43)29-20-16-25-23-14-18-27-33-28(36(42)39(3)35(27)41)19-15-24(31(23)33)26-17-21-30(38(40)44)34(29)32(25)26/h14-22H,4-13H2,1-3H3
InChIKey AJEWHJZTIYTUCI-UHFFFAOYSA-N
Molecular Weight 586.732 g/mol
SMILES C1(N(C(c2ccc3c4ccc5C(N(C(c6ccc(c7ccc1c2c37)c4c56)=O)C)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-0zfr-0000930000-24b4b6e412f1c9405aa2
Source of Spectrum K1-2001-610-4
Wiley ID 846665