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Succinic acid, 2-chloro-5-methylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-chloro-5-methylphenyl undecyl ester
SpectraBase Compound ID ESzSim2a2rd
InChI InChI=1S/C22H33ClO4/c1-3-4-5-6-7-8-9-10-11-16-26-21(24)14-15-22(25)27-20-17-18(2)12-13-19(20)23/h12-13,17H,3-11,14-16H2,1-2H3
InChIKey SPVHWRRIDKZBJP-UHFFFAOYSA-N
Mol Weight 397.0 g/mol
Molecular Formula C22H33ClO4
Exact Mass 396.206737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HuNssy4rQLr
Name Succinic acid, 2-chloro-5-methylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.206737239 u
Formula C22H33ClO4
InChI InChI=1S/C22H33ClO4/c1-3-4-5-6-7-8-9-10-11-16-26-21(24)14-15-22(25)27-20-17-18(2)12-13-19(20)23/h12-13,17H,3-11,14-16H2,1-2H3
InChIKey SPVHWRRIDKZBJP-UHFFFAOYSA-N
Molecular Weight 396.955 g/mol
SMILES C(OC=1C(=CC=C(C)C1)Cl)(CCC(OCCCCCCCCCCC)=O)=O