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Succinic acid, 4-chloro-2-nitrobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-chloro-2-nitrobenzyl undecyl ester
SpectraBase Compound ID H57QSUrJohm
InChI InChI=1S/C22H32ClNO6/c1-2-3-4-5-6-7-8-9-10-15-29-21(25)13-14-22(26)30-17-18-11-12-19(23)16-20(18)24(27)28/h11-12,16H,2-10,13-15,17H2,1H3
InChIKey IAFCYTJLZUJYCI-UHFFFAOYSA-N
Mol Weight 442.0 g/mol
Molecular Formula C22H32ClNO6
Exact Mass 441.191815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsFVCk6nkP8
Name Succinic acid, 4-chloro-2-nitrobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 441.191815448 u
Formula C22H32ClNO6
InChI InChI=1S/C22H32ClNO6/c1-2-3-4-5-6-7-8-9-10-15-29-21(25)13-14-22(26)30-17-18-11-12-19(23)16-20(18)24(27)28/h11-12,16H,2-10,13-15,17H2,1H3
InChIKey IAFCYTJLZUJYCI-UHFFFAOYSA-N
Molecular Weight 441.952 g/mol
SMILES C(CCC(OCC1=CC=C(C=C1N(=O)=O)Cl)=O)(OCCCCCCCCCCC)=O