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3-Phenoxybenzyl 3,5-dinitrobenzoate

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Phenoxybenzyl 3,5-dinitrobenzoate
SpectraBase Compound ID 6yTBjFhxLoe
InChI InChI=1S/C20H14N2O7/c23-20(15-10-16(21(24)25)12-17(11-15)22(26)27)28-13-14-5-4-8-19(9-14)29-18-6-2-1-3-7-18/h1-12H,13H2
InChIKey BUHSFUZRXFWOLT-UHFFFAOYSA-N
Mol Weight 394.34 g/mol
Molecular Formula C20H14N2O7
Exact Mass 394.080101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Cno9i9Fww4
Name 3-Phenoxybenzyl 3,5-dinitrobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 394.080100792 u
Formula C20H14N2O7
InChI InChI=1S/C20H14N2O7/c23-20(15-10-16(21(24)25)12-17(11-15)22(26)27)28-13-14-5-4-8-19(9-14)29-18-6-2-1-3-7-18/h1-12H,13H2
InChIKey BUHSFUZRXFWOLT-UHFFFAOYSA-N
Molecular Weight 394.339 g/mol
SMILES C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1