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Diethylmalonic acid, heptyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, heptyl 2-isopropylphenyl ester
SpectraBase Compound ID DpKgCl5CbE0
InChI InChI=1S/C23H36O4/c1-6-9-10-11-14-17-26-21(24)23(7-2,8-3)22(25)27-20-16-13-12-15-19(20)18(4)5/h12-13,15-16,18H,6-11,14,17H2,1-5H3
InChIKey IDMRPZCLHPEGPD-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vFcqQX9ARb
Name Diethylmalonic acid, heptyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-6-9-10-11-14-17-26-21(24)23(7-2,8-3)22(25)27-20-16-13-12-15-19(20)18(4)5/h12-13,15-16,18H,6-11,14,17H2,1-5H3
InChIKey IDMRPZCLHPEGPD-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(C(C(OCCCCCCC)=O)(C(OC1=C(C=CC=C1)C(C)C)=O)CC)C