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Glutaric acid, 8-chlorooctyl 2,6-dimethoxyphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 8-chlorooctyl 2,6-dimethoxyphenyl ester
SpectraBase Compound ID UapYWoFp31
InChI InChI=1S/C21H31ClO6/c1-25-17-11-9-12-18(26-2)21(17)28-20(24)14-10-13-19(23)27-16-8-6-4-3-5-7-15-22/h9,11-12H,3-8,10,13-16H2,1-2H3
InChIKey PGSCOAIZQAJRJI-UHFFFAOYSA-N
Mol Weight 414.93 g/mol
Molecular Formula C21H31ClO6
Exact Mass 414.180916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhmN30WNIyM
Name Glutaric acid, 8-chlorooctyl 2,6-dimethoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.180916412 u
Formula C21H31ClO6
InChI InChI=1S/C21H31ClO6/c1-25-17-11-9-12-18(26-2)21(17)28-20(24)14-10-13-19(23)27-16-8-6-4-3-5-7-15-22/h9,11-12H,3-8,10,13-16H2,1-2H3
InChIKey PGSCOAIZQAJRJI-UHFFFAOYSA-N
Molecular Weight 414.926 g/mol
SMILES C(CCC(OCCCCCCCCCl)=O)C(OC1=C(C=CC=C1OC)OC)=O