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Diethylmalonic acid, isobutyl 3-methoxyphenyl ester
SpectraBase Compound ID 9mEOphIgGk9
InChI InChI=1S/C18H26O5/c1-6-18(7-2,16(19)22-12-13(3)4)17(20)23-15-10-8-9-14(11-15)21-5/h8-11,13H,6-7,12H2,1-5H3
InChIKey IWYLHMKCPCZBRC-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImUtIDnpjtB
Name Diethylmalonic acid, isobutyl 3-methoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.178023932 u
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-6-18(7-2,16(19)22-12-13(3)4)17(20)23-15-10-8-9-14(11-15)21-5/h8-11,13H,6-7,12H2,1-5H3
InChIKey IWYLHMKCPCZBRC-UHFFFAOYSA-N
Molecular Weight 322.401 g/mol
SMILES C(C(C(OCC(C)C)=O)(CC)CC)(OC1=CC(OC)=CC=C1)=O