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Glutaric acid, 4-methyl-3-nitrobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-methyl-3-nitrobenzyl nonyl ester
SpectraBase Compound ID LllOFmgxJQT
InChI InChI=1S/C22H33NO6/c1-3-4-5-6-7-8-9-15-28-21(24)11-10-12-22(25)29-17-19-14-13-18(2)20(16-19)23(26)27/h13-14,16H,3-12,15,17H2,1-2H3
InChIKey LHDSTYORCTVFNS-UHFFFAOYSA-N
Mol Weight 407.5 g/mol
Molecular Formula C22H33NO6
Exact Mass 407.230788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Etiz1uCwxc
Name Glutaric acid, 4-methyl-3-nitrobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.230787781 u
Formula C22H33NO6
InChI InChI=1S/C22H33NO6/c1-3-4-5-6-7-8-9-15-28-21(24)11-10-12-22(25)29-17-19-14-13-18(2)20(16-19)23(26)27/h13-14,16H,3-12,15,17H2,1-2H3
InChIKey LHDSTYORCTVFNS-UHFFFAOYSA-N
Molecular Weight 407.507 g/mol
SMILES C(OCC1=CC(=C(C=C1)C)N(=O)=O)(=O)CCCC(OCCCCCCCCC)=O