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Benzamide, 4-nitro-N-(4-nitrobenzoyl)-N-pentyl-
SpectraBase Compound ID 4EM82RA5eOB
InChI InChI=1S/C19H19N3O6/c1-2-3-4-13-20(18(23)14-5-9-16(10-6-14)21(25)26)19(24)15-7-11-17(12-8-15)22(27)28/h5-12H,2-4,13H2,1H3
InChIKey LWNVMWQTINHIMK-UHFFFAOYSA-N
Mol Weight 385.38 g/mol
Molecular Formula C19H19N3O6
Exact Mass 385.127385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Da9baFOkQ9b
Name Benzamide, 4-nitro-N-(4-nitrobenzoyl)-N-pentyl-
Comments Computed using HOSE algorithm
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Exact Mass 385.127385338 u
Formula C19H19N3O6
InChI InChI=1S/C19H19N3O6/c1-2-3-4-13-20(18(23)14-5-9-16(10-6-14)21(25)26)19(24)15-7-11-17(12-8-15)22(27)28/h5-12H,2-4,13H2,1H3
InChIKey LWNVMWQTINHIMK-UHFFFAOYSA-N
Molecular Weight 385.376 g/mol
SMILES C1=C(C=CC(=C1)N(=O)=O)C(N(CCCCC)C(=O)C1=CC=C(C=C1)N(=O)=O)=O