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N-(4'-Acetylamino-3,3'-dinitro-biphenyl-4-yl)-acetamide

View entire compound with spectra: 1 NMR

N-(4'-Acetylamino-3,3'-dinitro-biphenyl-4-yl)-acetamide
SpectraBase Compound ID 8OTyL5ygwkW
InChI InChI=1S/C16H14N4O6/c1-9(21)17-13-5-3-11(7-15(13)19(23)24)12-4-6-14(18-10(2)22)16(8-12)20(25)26/h3-8H,1-2H3,(H,17,21)(H,18,22)
InChIKey VGFDUXNDMUMYHD-UHFFFAOYSA-N
Mol Weight 358.31 g/mol
Molecular Formula C16H14N4O6
Exact Mass 358.091334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxiHfeaQtDN
Name N-(4'-Acetylamino-3,3'-dinitro-biphenyl-4-yl)-acetamide
Comments Computed using HOSE algorithm
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Exact Mass 358.091334181 u
Formula C16H14N4O6
InChI InChI=1S/C16H14N4O6/c1-9(21)17-13-5-3-11(7-15(13)19(23)24)12-4-6-14(18-10(2)22)16(8-12)20(25)26/h3-8H,1-2H3,(H,17,21)(H,18,22)
InChIKey VGFDUXNDMUMYHD-UHFFFAOYSA-N
Molecular Weight 358.310 g/mol
SMILES C1(=CC=C(C=C1N(=O)=O)C1=CC=C(C(=C1)N(=O)=O)NC(C)=O)NC(C)=O