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Diisobutyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

View entire compound with spectra: 2 NMR

Diisobutyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
SpectraBase Compound ID EyVsJX225u8
InChI InChI=1S/C23H32O7/c1-13(2)11-29-21(26)19-17(25)10-23(5,28)20(22(27)30-12-14(3)4)18(19)15-7-6-8-16(24)9-15/h6-9,13-14,18-20,24,28H,10-12H2,1-5H3
InChIKey ILBYLONDTKJWFO-UHFFFAOYSA-N
Mol Weight 420.5 g/mol
Molecular Formula C23H32O7
Exact Mass 420.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6E6vFxChe3f
Name Diisobutyl 4-hydroxy-2-(3-hydroxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.214803363 u
Formula C23H32O7
InChI InChI=1S/C23H32O7/c1-13(2)11-29-21(26)19-17(25)10-23(5,28)20(22(27)30-12-14(3)4)18(19)15-7-6-8-16(24)9-15/h6-9,13-14,18-20,24,28H,10-12H2,1-5H3
InChIKey ILBYLONDTKJWFO-UHFFFAOYSA-N
Molecular Weight 420.502 g/mol
SMILES OC1(C(C(C2=CC(=CC=C2)O)C(C(C1)=O)C(OCC(C)C)=O)C(OCC(C)C)=O)C