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4-[(2-Methyl-3-nitroanilino)carbonyl]phenyl acetate

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

4-[(2-Methyl-3-nitroanilino)carbonyl]phenyl acetate
SpectraBase Compound ID 3XHG4MtOpZm
InChI InChI=1S/C16H14N2O5/c1-10-14(4-3-5-15(10)18(21)22)17-16(20)12-6-8-13(9-7-12)23-11(2)19/h3-9H,1-2H3,(H,17,20)
InChIKey HGILCKQGSQIXOY-UHFFFAOYSA-N
Mol Weight 314.3 g/mol
Molecular Formula C16H14N2O5
Exact Mass 314.090272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSaJt8uRuVF
Name Acetic acid, [4-(2-methyl-3-nitrophenylaminocarbonyl)phenyl] ester
Comments Computed using HOSE algorithm
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Exact Mass 314.090271554 u
Formula C16H14N2O5
InChI InChI=1S/C16H14N2O5/c1-10-14(4-3-5-15(10)18(21)22)17-16(20)12-6-8-13(9-7-12)23-11(2)19/h3-9H,1-2H3,(H,17,20)
InChIKey HGILCKQGSQIXOY-UHFFFAOYSA-N
Molecular Weight 314.297 g/mol
SMILES CC(OC1=CC=C(C(NC=2C(=C(N(=O)=O)C=CC2)C)=O)C=C1)=O