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Pimelic acid, di(2-nitrophenyl) ester

View entire compound with spectra: 1 NMR

Pimelic acid, di(2-nitrophenyl) ester
SpectraBase Compound ID 2NW5MXISzpd
InChI InChI=1S/C19H18N2O8/c22-18(28-16-10-6-4-8-14(16)20(24)25)12-2-1-3-13-19(23)29-17-11-7-5-9-15(17)21(26)27/h4-11H,1-3,12-13H2
InChIKey ZPTDXNWYBZXQCH-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 J4t28auonpO
Name Pimelic acid, di(2-nitrophenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 402.106315540 u
Formula C19H18N2O8
InChI InChI=1S/C19H18N2O8/c22-18(28-16-10-6-4-8-14(16)20(24)25)12-2-1-3-13-19(23)29-17-11-7-5-9-15(17)21(26)27/h4-11H,1-3,12-13H2
InChIKey ZPTDXNWYBZXQCH-UHFFFAOYSA-N
Molecular Weight 402.359 g/mol
SMILES C(OC1=C(C=CC=C1)N(=O)=O)(=O)CCCCCC(OC1=C(C=CC=C1)N(=O)=O)=O