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Glutaric acid, 2-nitro-4-chlorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-nitro-4-chlorobenzyl undecyl ester
SpectraBase Compound ID 8GE34GbHxg5
InChI InChI=1S/C23H34ClNO6/c1-2-3-4-5-6-7-8-9-10-16-30-22(26)12-11-13-23(27)31-18-19-14-15-20(24)17-21(19)25(28)29/h14-15,17H,2-13,16,18H2,1H3
InChIKey JULZITCBXSKIJB-UHFFFAOYSA-N
Mol Weight 456.0 g/mol
Molecular Formula C23H34ClNO6
Exact Mass 455.207466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EYEJSRtPDu
Name Glutaric acid, 2-nitro-4-chlorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.207465513 u
Formula C23H34ClNO6
InChI InChI=1S/C23H34ClNO6/c1-2-3-4-5-6-7-8-9-10-16-30-22(26)12-11-13-23(27)31-18-19-14-15-20(24)17-21(19)25(28)29/h14-15,17H,2-13,16,18H2,1H3
InChIKey JULZITCBXSKIJB-UHFFFAOYSA-N
Molecular Weight 455.979 g/mol
SMILES C(OCC1=CC=C(C=C1N(=O)=O)Cl)(=O)CCCC(OCCCCCCCCCCC)=O