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

View entire compound with spectra: 1 NMR

Glutaric acid, tridecyl 2-nitro-4-chlorobenzyl ester
SpectraBase Compound ID DNg4Qs56u1s
InChI InChI=1S/C25H38ClNO6/c1-2-3-4-5-6-7-8-9-10-11-12-18-32-24(28)14-13-15-25(29)33-20-21-16-17-22(26)19-23(21)27(30)31/h16-17,19H,2-15,18,20H2,1H3
InChIKey PLNUWNDFVGEJTH-UHFFFAOYSA-N
Mol Weight 484.0 g/mol
Molecular Formula C25H38ClNO6
Exact Mass 483.238766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5d9zaXNItJS
Name Glutaric acid, tridecyl 2-nitro-4-chlorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 483.238765642 u
Formula C25H38ClNO6
InChI InChI=1S/C25H38ClNO6/c1-2-3-4-5-6-7-8-9-10-11-12-18-32-24(28)14-13-15-25(29)33-20-21-16-17-22(26)19-23(21)27(30)31/h16-17,19H,2-15,18,20H2,1H3
InChIKey PLNUWNDFVGEJTH-UHFFFAOYSA-N
Molecular Weight 484.033 g/mol
SMILES C(OCC1=CC=C(C=C1N(=O)=O)Cl)(=O)CCCC(OCCCCCCCCCCCCC)=O