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Glutaric acid, di(2-(2-nitrophenyl)ethyl) ester

View entire compound with spectra: 1 NMR

Glutaric acid, di(2-(2-nitrophenyl)ethyl) ester
SpectraBase Compound ID DErLkqtzKF6
InChI InChI=1S/C21H22N2O8/c24-20(30-14-12-16-6-1-3-8-18(16)22(26)27)10-5-11-21(25)31-15-13-17-7-2-4-9-19(17)23(28)29/h1-4,6-9H,5,10-15H2
InChIKey XCMCYKQLHRWBCJ-UHFFFAOYSA-N
Mol Weight 430.41 g/mol
Molecular Formula C21H22N2O8
Exact Mass 430.137616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7zGSuTJxRr
Name Glutaric acid, di(2-(2-nitrophenyl)ethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 430.137615668 u
Formula C21H22N2O8
InChI InChI=1S/C21H22N2O8/c24-20(30-14-12-16-6-1-3-8-18(16)22(26)27)10-5-11-21(25)31-15-13-17-7-2-4-9-19(17)23(28)29/h1-4,6-9H,5,10-15H2
InChIKey XCMCYKQLHRWBCJ-UHFFFAOYSA-N
Molecular Weight 430.413 g/mol
SMILES C(OCCC1=C(C=CC=C1)N(=O)=O)(=O)CCCC(OCCC1=CC=CC=C1N(=O)=O)=O