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1,4-Phenylene bis(3-nitrobenzoate)

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

1,4-Phenylene bis(3-nitrobenzoate)
SpectraBase Compound ID 6pEEMvdgeSw
InChI InChI=1S/C20H12N2O8/c23-19(13-3-1-5-15(11-13)21(25)26)29-17-7-9-18(10-8-17)30-20(24)14-4-2-6-16(12-14)22(27)28/h1-12H
InChIKey RXQOXZNMKWEJLC-UHFFFAOYSA-N
Mol Weight 408.32 g/mol
Molecular Formula C20H12N2O8
Exact Mass 408.059365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7LRLDWqU9Fe
Name 1,4-Phenylene bis(3-nitrobenzoate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.059365346 u
Formula C20H12N2O8
InChI InChI=1S/C20H12N2O8/c23-19(13-3-1-5-15(11-13)21(25)26)29-17-7-9-18(10-8-17)30-20(24)14-4-2-6-16(12-14)22(27)28/h1-12H
InChIKey RXQOXZNMKWEJLC-UHFFFAOYSA-N
Molecular Weight 408.322 g/mol
SMILES C1=CC(=CC=C1OC(=O)C1=CC=CC(=C1)N(=O)=O)OC(=O)C1=CC(=CC=C1)N(=O)=O