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Glutaric acid, di(3-nitrobenzyl) ester

View entire compound with spectra: 1 NMR

Glutaric acid, di(3-nitrobenzyl) ester
SpectraBase Compound ID 9A8burRME5W
InChI InChI=1S/C19H18N2O8/c22-18(28-12-14-4-1-6-16(10-14)20(24)25)8-3-9-19(23)29-13-15-5-2-7-17(11-15)21(26)27/h1-2,4-7,10-11H,3,8-9,12-13H2
InChIKey PVDBONOUGHIODU-UHFFFAOYSA-N
Mol Weight 402.36 g/mol
Molecular Formula C19H18N2O8
Exact Mass 402.106316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bWEnS5JDPK
Name Glutaric acid, di(3-nitrobenzyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 402.106315540 u
Formula C19H18N2O8
InChI InChI=1S/C19H18N2O8/c22-18(28-12-14-4-1-6-16(10-14)20(24)25)8-3-9-19(23)29-13-15-5-2-7-17(11-15)21(26)27/h1-2,4-7,10-11H,3,8-9,12-13H2
InChIKey PVDBONOUGHIODU-UHFFFAOYSA-N
Molecular Weight 402.359 g/mol
SMILES C(OCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCC1=CC(=CC=C1)N(=O)=O)=O