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Dimethylmalonic acid, isohexyl 2-isopropoxyphenyl ester

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Dimethylmalonic acid, isohexyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 6LUGZZCSIgg
InChI InChI=1S/C20H30O5/c1-14(2)10-9-13-23-18(21)20(5,6)19(22)25-17-12-8-7-11-16(17)24-15(3)4/h7-8,11-12,14-15H,9-10,13H2,1-6H3
InChIKey HRCWFXDHZHLTDF-UHFFFAOYSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7UJZCjcqUE
Name Dimethylmalonic acid, isohexyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.209324061 u
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-14(2)10-9-13-23-18(21)20(5,6)19(22)25-17-12-8-7-11-16(17)24-15(3)4/h7-8,11-12,14-15H,9-10,13H2,1-6H3
InChIKey HRCWFXDHZHLTDF-UHFFFAOYSA-N
Molecular Weight 350.455 g/mol
SMILES C1=CC=C(C(=C1)OC(=O)C(C)(C)C(OCCCC(C)C)=O)OC(C)C