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N-[1'-Hexylheptyl]-1,6-dinitroperylene-3,4-dicarboxamide
SpectraBase Compound ID 5lf1KKeJXmk
InChI InChI=1S/C35H35N3O6/c1-3-5-7-9-15-22(16-10-8-6-4-2)36-34(39)25-19-27(37(41)42)31-23-17-11-13-21-14-12-18-24(29(21)23)32-28(38(43)44)20-26(35(36)40)30(25)33(31)32/h11-14,17-20,22H,3-10,15-16H2,1-2H3
InChIKey QYDGXOIDQJLXMW-UHFFFAOYSA-N
Mol Weight 593.7 g/mol
Molecular Formula C35H35N3O6
Exact Mass 593.252586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjGJRDQOSBn
Name N-[1'-Hexylheptyl]-1,6-dinitroperylene-3,4-dicarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H35N3O6
InChI InChI=1S/C35H35N3O6/c1-3-5-7-9-15-22(16-10-8-6-4-2)36-34(39)25-19-27(37(41)42)31-23-17-11-13-21-14-12-18-24(29(21)23)32-28(38(43)44)20-26(35(36)40)30(25)33(31)32/h11-14,17-20,22H,3-10,15-16H2,1-2H3
InChIKey QYDGXOIDQJLXMW-UHFFFAOYSA-N
Molecular Weight 593.680 g/mol
SMILES C1(N(C(c2c3c4c(c(cc13)N(=O)=O)c1cccc3c1c(c4c(c2)N(=O)=O)ccc3)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-03dl-7059730000-bce0379e50b0bdfbdfc6
Source of Spectrum U-1995-1241-12
Synonyms 2-(1-hexylheptyl)-5,12-dinitro-1H-benzo[10,5]anthra[2,1,9-def]isoquinoline-1,3(2H)-dione
Wiley ID 767265