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Benzoic acid, 4-nitro-, 2-[(4-nitrobenzolyl)oxy]ethyl ester
SpectraBase Compound ID G9K348rYvpr
InChI InChI=1S/C16H12N2O8/c19-15(11-1-5-13(6-2-11)17(21)22)25-9-10-26-16(20)12-3-7-14(8-4-12)18(23)24/h1-8H,9-10H2
InChIKey PLCJVXNGSALRQG-UHFFFAOYSA-N
Mol Weight 360.28 g/mol
Molecular Formula C16H12N2O8
Exact Mass 360.059365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hRqCIVLZqj
Name Benzoic acid, 4-nitro-, 2-[(4-nitrobenzolyl)oxy]ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.059365346 u
Formula C16H12N2O8
InChI InChI=1S/C16H12N2O8/c19-15(11-1-5-13(6-2-11)17(21)22)25-9-10-26-16(20)12-3-7-14(8-4-12)18(23)24/h1-8H,9-10H2
InChIKey PLCJVXNGSALRQG-UHFFFAOYSA-N
Molecular Weight 360.278 g/mol
SMILES C1(N(=O)=O)=CC=C(C(OCCOC(=O)C2=CC=C(N(=O)=O)C=C2)=O)C=C1