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Benzamide, 4-nitro-N-(4-nitrobenzoyl)-N-3-methylbutyl-
SpectraBase Compound ID B0f2w2JRd2C
InChI InChI=1S/C19H19N3O6/c1-13(2)11-12-20(18(23)14-3-7-16(8-4-14)21(25)26)19(24)15-5-9-17(10-6-15)22(27)28/h3-10,13H,11-12H2,1-2H3
InChIKey SVTQUCNXDQRVPU-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 9gIqttKIk8O
Name Benzamide, 4-nitro-N-(4-nitrobenzoyl)-N-3-methylbutyl-
Comments Computed using HOSE algorithm
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Exact Mass 385.127385338 u
Formula C19H19N3O6
InChI InChI=1S/C19H19N3O6/c1-13(2)11-12-20(18(23)14-3-7-16(8-4-14)21(25)26)19(24)15-5-9-17(10-6-15)22(27)28/h3-10,13H,11-12H2,1-2H3
InChIKey SVTQUCNXDQRVPU-UHFFFAOYSA-N
Molecular Weight 385.376 g/mol
SMILES C1=C(C=CC(=C1)N(=O)=O)C(N(CCC(C)C)C(=O)C1=CC=C(C=C1)N(=O)=O)=O