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

View entire compound with spectra: 1 NMR

Succinic acid, 4-chloro-2-nitrobenzyl decyl ester
SpectraBase Compound ID K7mObmI7Ly0
InChI InChI=1S/C21H30ClNO6/c1-2-3-4-5-6-7-8-9-14-28-20(24)12-13-21(25)29-16-17-10-11-18(22)15-19(17)23(26)27/h10-11,15H,2-9,12-14,16H2,1H3
InChIKey RWZYGHOHFMZYMD-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 1AOeTe6mVJm
Name Succinic acid, 4-chloro-2-nitrobenzyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.176165384 u
Formula C21H30ClNO6
InChI InChI=1S/C21H30ClNO6/c1-2-3-4-5-6-7-8-9-14-28-20(24)12-13-21(25)29-16-17-10-11-18(22)15-19(17)23(26)27/h10-11,15H,2-9,12-14,16H2,1H3
InChIKey RWZYGHOHFMZYMD-UHFFFAOYSA-N
Molecular Weight 427.925 g/mol
SMILES C(CCC(OCC1=CC=C(C=C1N(=O)=O)Cl)=O)(OCCCCCCCCCC)=O