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Glutaric acid, 4-chloro-3-methylphenyl decyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-chloro-3-methylphenyl decyl ester
SpectraBase Compound ID IGwBvP77dRH
InChI InChI=1S/C22H33ClO4/c1-3-4-5-6-7-8-9-10-16-26-21(24)12-11-13-22(25)27-19-14-15-20(23)18(2)17-19/h14-15,17H,3-13,16H2,1-2H3
InChIKey FUMRAQOTUYNHGF-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 AjsqJ8I01kc
Name Glutaric acid, 4-chloro-3-methylphenyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.206737239 u
Formula C22H33ClO4
InChI InChI=1S/C22H33ClO4/c1-3-4-5-6-7-8-9-10-16-26-21(24)12-11-13-22(25)27-19-14-15-20(23)18(2)17-19/h14-15,17H,3-13,16H2,1-2H3
InChIKey FUMRAQOTUYNHGF-UHFFFAOYSA-N
Molecular Weight 396.955 g/mol
SMILES CCCCCCCCCCOC(CCCC(OC1=CC=C(C(=C1)C)Cl)=O)=O