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Benzoic acid, 3,5-bis(2-nitrophenoxy)-, methyl ester

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

Benzoic acid, 3,5-bis(2-nitrophenoxy)-, methyl ester
SpectraBase Compound ID LqHODLNQA6H
InChI InChI=1S/C20H14N2O8/c1-28-20(23)13-10-14(29-18-8-4-2-6-16(18)21(24)25)12-15(11-13)30-19-9-5-3-7-17(19)22(26)27/h2-12H,1H3
InChIKey GIOPPLIGJFDPQV-UHFFFAOYSA-N
Mol Weight 410.34 g/mol
Molecular Formula C20H14N2O8
Exact Mass 410.075015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLTBntLoXGz
Name Benzoic acid, 3,5-bis(2-nitrophenoxy)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.075015411 u
Formula C20H14N2O8
InChI InChI=1S/C20H14N2O8/c1-28-20(23)13-10-14(29-18-8-4-2-6-16(18)21(24)25)12-15(11-13)30-19-9-5-3-7-17(19)22(26)27/h2-12H,1H3
InChIKey GIOPPLIGJFDPQV-UHFFFAOYSA-N
Molecular Weight 410.338 g/mol
SMILES C=1(N(=O)=O)C(OC2=CC(OC=3C(N(=O)=O)=CC=CC3)=CC(=C2)C(=O)OC)=CC=CC1