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4-Hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methylpropyl) ester
SpectraBase Compound ID 51riX2gfdiD
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)15-6-8-16(24)9-7-15/h6-9,13-14,18-20,24,28H,10-12H2,1-5H3
InChIKey FVYWGRKLKFZUCH-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 8h974U7mpXk
Name 4-Hydroxy-2-(4-hydroxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(2-methylpropyl) ester
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)15-6-8-16(24)9-7-15/h6-9,13-14,18-20,24,28H,10-12H2,1-5H3
InChIKey FVYWGRKLKFZUCH-UHFFFAOYSA-N
Molecular Weight 420.502 g/mol
SMILES C1(C(CC(C(C1C=1C=CC(=CC1)O)C(OCC(C)C)=O)=O)(O)C)C(OCC(C)C)=O