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Succinic acid, 8-chlorooctyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 8-chlorooctyl 2-propylphenyl ester
SpectraBase Compound ID ESZ0G46fJd4
InChI InChI=1S/C21H31ClO4/c1-2-11-18-12-7-8-13-19(18)26-21(24)15-14-20(23)25-17-10-6-4-3-5-9-16-22/h7-8,12-13H,2-6,9-11,14-17H2,1H3
InChIKey WASOMRNSPVIXKH-UHFFFAOYSA-N
Mol Weight 382.93 g/mol
Molecular Formula C21H31ClO4
Exact Mass 382.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSFYWhrBsyu
Name Succinic acid, 8-chlorooctyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.191087174 u
Formula C21H31ClO4
InChI InChI=1S/C21H31ClO4/c1-2-11-18-12-7-8-13-19(18)26-21(24)15-14-20(23)25-17-10-6-4-3-5-9-16-22/h7-8,12-13H,2-6,9-11,14-17H2,1H3
InChIKey WASOMRNSPVIXKH-UHFFFAOYSA-N
Molecular Weight 382.928 g/mol
SMILES C(CC(OCCCCCCCCCl)=O)C(OC=1C(CCC)=CC=CC1)=O