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Glutaric acid, decyl 3-nitrobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, decyl 3-nitrobenzyl ester
SpectraBase Compound ID KNhh3snRaq
InChI InChI=1S/C22H33NO6/c1-2-3-4-5-6-7-8-9-16-28-21(24)14-11-15-22(25)29-18-19-12-10-13-20(17-19)23(26)27/h10,12-13,17H,2-9,11,14-16,18H2,1H3
InChIKey QPESYOJLZQMYPH-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 IcdLiRGTEIZ
Name Glutaric acid, decyl 3-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.230787781 u
Formula C22H33NO6
InChI InChI=1S/C22H33NO6/c1-2-3-4-5-6-7-8-9-16-28-21(24)14-11-15-22(25)29-18-19-12-10-13-20(17-19)23(26)27/h10,12-13,17H,2-9,11,14-16,18H2,1H3
InChIKey QPESYOJLZQMYPH-UHFFFAOYSA-N
Molecular Weight 407.507 g/mol
SMILES C(OCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCCCCCCCCCC)=O