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N-(4-hydroxy-butyl)-4-nitro-N-(4-nitro-benzoyl)-benzamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-(4-hydroxy-butyl)-4-nitro-N-(4-nitro-benzoyl)-benzamide
SpectraBase Compound ID 8dto72l6fba
InChI InChI=1S/C18H17N3O7/c22-12-2-1-11-19(17(23)13-3-7-15(8-4-13)20(25)26)18(24)14-5-9-16(10-6-14)21(27)28/h3-10,22H,1-2,11-12H2
InChIKey VQYRXXHRXRCXDM-UHFFFAOYSA-N
Mol Weight 387.35 g/mol
Molecular Formula C18H17N3O7
Exact Mass 387.10665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzaKwr85DwO
Name N-(4-Hydroxy-butyl)-4-nitro-N-(4-nitro-benzoyl)-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 387.106649892 u
Formula C18H17N3O7
InChI InChI=1S/C18H17N3O7/c22-12-2-1-11-19(17(23)13-3-7-15(8-4-13)20(25)26)18(24)14-5-9-16(10-6-14)21(27)28/h3-10,22H,1-2,11-12H2
InChIKey VQYRXXHRXRCXDM-UHFFFAOYSA-N
Molecular Weight 387.348 g/mol
SMILES C(CO)CCN(C(C1=CC=C(N(=O)=O)C=C1)=O)C(C1=CC=C(N(=O)=O)C=C1)=O