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Glutaric acid, 3-nitrophenethyl nonyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-nitrophenethyl nonyl ester
SpectraBase Compound ID KCdAUmLDO9J
InChI InChI=1S/C22H33NO6/c1-2-3-4-5-6-7-8-16-28-21(24)13-10-14-22(25)29-17-15-19-11-9-12-20(18-19)23(26)27/h9,11-12,18H,2-8,10,13-17H2,1H3
InChIKey KMKHFKNCJCBQCD-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 BNjrNyDrmdR
Name Glutaric acid, 3-nitrophenethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.230787781 u
Formula C22H33NO6
InChI InChI=1S/C22H33NO6/c1-2-3-4-5-6-7-8-16-28-21(24)13-10-14-22(25)29-17-15-19-11-9-12-20(18-19)23(26)27/h9,11-12,18H,2-8,10,13-17H2,1H3
InChIKey KMKHFKNCJCBQCD-UHFFFAOYSA-N
Molecular Weight 407.507 g/mol
SMILES C(OCCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCCCCCCCCC)=O