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Diethylmalonic acid, 2-chloro-4-methoxyphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chloro-4-methoxyphenyl tridecyl ester
SpectraBase Compound ID BVUkorahufe
InChI InChI=1S/C27H43ClO5/c1-5-8-9-10-11-12-13-14-15-16-17-20-32-25(29)27(6-2,7-3)26(30)33-24-19-18-22(31-4)21-23(24)28/h18-19,21H,5-17,20H2,1-4H3
InChIKey USFMMRDPOAKIBG-UHFFFAOYSA-N
Mol Weight 483.1 g/mol
Molecular Formula C27H43ClO5
Exact Mass 482.279902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8el8394X87u
Name Diethylmalonic acid, 2-chloro-4-methoxyphenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.279902180 u
Formula C27H43ClO5
InChI InChI=1S/C27H43ClO5/c1-5-8-9-10-11-12-13-14-15-16-17-20-32-25(29)27(6-2,7-3)26(30)33-24-19-18-22(31-4)21-23(24)28/h18-19,21H,5-17,20H2,1-4H3
InChIKey USFMMRDPOAKIBG-UHFFFAOYSA-N
Molecular Weight 483.089 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(OC)C=C1Cl)=O