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Benzamide, 4-nitro-N-(4-nitrobenzoyl)-N-heptyl-

View entire compound with spectra: 1 NMR

Benzamide, 4-nitro-N-(4-nitrobenzoyl)-N-heptyl-
SpectraBase Compound ID C6HG2o3slH8
InChI InChI=1S/C21H23N3O6/c1-2-3-4-5-6-15-22(20(25)16-7-11-18(12-8-16)23(27)28)21(26)17-9-13-19(14-10-17)24(29)30/h7-14H,2-6,15H2,1H3
InChIKey ZWTSNZIYXUVBLU-UHFFFAOYSA-N
Mol Weight 413.43 g/mol
Molecular Formula C21H23N3O6
Exact Mass 413.158685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8IORGfXkQS
Name Benzamide, 4-nitro-N-(4-nitrobenzoyl)-N-heptyl-
Comments Computed using HOSE algorithm
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Exact Mass 413.158685467 u
Formula C21H23N3O6
InChI InChI=1S/C21H23N3O6/c1-2-3-4-5-6-15-22(20(25)16-7-11-18(12-8-16)23(27)28)21(26)17-9-13-19(14-10-17)24(29)30/h7-14H,2-6,15H2,1H3
InChIKey ZWTSNZIYXUVBLU-UHFFFAOYSA-N
Molecular Weight 413.430 g/mol
SMILES C1=C(C=CC(=C1)N(=O)=O)C(N(CCCCCCC)C(=O)C1=CC=C(C=C1)N(=O)=O)=O