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N-[1'-Hexylheptyl]-9,10-dinitroperylene-3,4-dicarboxamide

View entire compound with spectra: 1 MS (GC)

N-[1'-Hexylheptyl]-9,10-dinitroperylene-3,4-dicarboxamide
SpectraBase Compound ID Bims2rXBk8G
InChI InChI=1S/C35H35N3O6/c1-3-5-7-9-11-21(12-10-8-6-4-2)36-34(39)26-15-13-22-24-17-19-28(37(41)42)33-29(38(43)44)20-18-25(31(24)33)23-14-16-27(35(36)40)32(26)30(22)23/h13-21H,3-12H2,1-2H3
InChIKey GCTVMUIGWVNFDX-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 8eexVfrMyRc
Name N-[1'-Hexylheptyl]-9,10-dinitroperylene-3,4-dicarboxamide
Alternate Name(s) 2-(1-hexylheptyl)-8,9-dinitro-1H-benzo[10,5]anthra[2,1,9-def]isoquinoline-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H35N3O6
InChI InChI=1S/C35H35N3O6/c1-3-5-7-9-11-21(12-10-8-6-4-2)36-34(39)26-15-13-22-24-17-19-28(37(41)42)33-29(38(43)44)20-18-25(31(24)33)23-14-16-27(35(36)40)32(26)30(22)23/h13-21H,3-12H2,1-2H3
InChIKey GCTVMUIGWVNFDX-UHFFFAOYSA-N
Molecular Weight 593.680 g/mol
SMILES C1(N(C(c2ccc3c4c5c(c(ccc5c5ccc1c2c35)N(=O)=O)c(cc4)N(=O)=O)=O)C(CCCCCC)CCCCCC)=O
SPLASH splash10-08g3-3029330000-959802e760b38d6ddefb
Source of Spectrum U-1995-1241-8
Wiley ID 767264