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Glutaric acid, 4-chloro-3-methylphenyl 3,7-dimethyloctyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-chloro-3-methylphenyl 3,7-dimethyloctyl ester
SpectraBase Compound ID Ay665gAE5UT
InChI InChI=1S/C22H33ClO4/c1-16(2)7-5-8-17(3)13-14-26-21(24)9-6-10-22(25)27-19-11-12-20(23)18(4)15-19/h11-12,15-17H,5-10,13-14H2,1-4H3
InChIKey ZJEPQWUZCQRSNP-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 BzIe7wFihLO
Name Glutaric acid, 4-chloro-3-methylphenyl 3,7-dimethyloctyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.206737239 u
Formula C22H33ClO4
InChI InChI=1S/C22H33ClO4/c1-16(2)7-5-8-17(3)13-14-26-21(24)9-6-10-22(25)27-19-11-12-20(23)18(4)15-19/h11-12,15-17H,5-10,13-14H2,1-4H3
InChIKey ZJEPQWUZCQRSNP-UHFFFAOYSA-N
Molecular Weight 396.955 g/mol
SMILES C(CCC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCCC(CCCC(C)C)C)=O