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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-nitro-4-chlorobenzyl nonyl ester
SpectraBase Compound ID E4lyEoiyTVr
InChI InChI=1S/C21H30ClNO6/c1-2-3-4-5-6-7-8-14-28-20(24)10-9-11-21(25)29-16-17-12-13-18(22)15-19(17)23(26)27/h12-13,15H,2-11,14,16H2,1H3
InChIKey DXNMFSJOGYZYGP-UHFFFAOYSA-N
Mol Weight 427.93 g/mol
Molecular Formula C21H30ClNO6
Exact Mass 427.176165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gkq8FGuODCJ
Name Glutaric acid, 2-nitro-4-chlorobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.176165384 u
Formula C21H30ClNO6
InChI InChI=1S/C21H30ClNO6/c1-2-3-4-5-6-7-8-14-28-20(24)10-9-11-21(25)29-16-17-12-13-18(22)15-19(17)23(26)27/h12-13,15H,2-11,14,16H2,1H3
InChIKey DXNMFSJOGYZYGP-UHFFFAOYSA-N
Molecular Weight 427.925 g/mol
SMILES C(OCC1=CC=C(C=C1N(=O)=O)Cl)(=O)CCCC(OCCCCCCCCC)=O