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Diethylmalonic acid, 2-chlorophenyl decyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chlorophenyl decyl ester
SpectraBase Compound ID 86kkOsRsFGw
InChI InChI=1S/C23H35ClO4/c1-4-7-8-9-10-11-12-15-18-27-21(25)23(5-2,6-3)22(26)28-20-17-14-13-16-19(20)24/h13-14,16-17H,4-12,15,18H2,1-3H3
InChIKey QGMCJYSPEQTPNN-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C23H35ClO4
Exact Mass 410.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Pnwr5FMgCp
Name Diethylmalonic acid, 2-chlorophenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.222387303 u
Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-4-7-8-9-10-11-12-15-18-27-21(25)23(5-2,6-3)22(26)28-20-17-14-13-16-19(20)24/h13-14,16-17H,4-12,15,18H2,1-3H3
InChIKey QGMCJYSPEQTPNN-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC