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

View entire compound with spectra: 1 NMR

Glutaric acid, decyl 3-methyl-4-nitrobenzyl ester
SpectraBase Compound ID 2DW1yefniPd
InChI InChI=1S/C23H35NO6/c1-3-4-5-6-7-8-9-10-16-29-22(25)12-11-13-23(26)30-18-20-14-15-21(24(27)28)19(2)17-20/h14-15,17H,3-13,16,18H2,1-2H3
InChIKey QUNPNEUILABRSF-UHFFFAOYSA-N
Mol Weight 421.5 g/mol
Molecular Formula C23H35NO6
Exact Mass 421.246438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcxZOZ6C49H
Name Glutaric acid, decyl 3-methyl-4-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 421.246437845 u
Formula C23H35NO6
InChI InChI=1S/C23H35NO6/c1-3-4-5-6-7-8-9-10-16-29-22(25)12-11-13-23(26)30-18-20-14-15-21(24(27)28)19(2)17-20/h14-15,17H,3-13,16,18H2,1-2H3
InChIKey QUNPNEUILABRSF-UHFFFAOYSA-N
Molecular Weight 421.534 g/mol
SMILES C(OCC1=CC=C(C(=C1)C)N(=O)=O)(=O)CCCC(OCCCCCCCCCC)=O