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6,6-Bis-(2-methyl-4-hydroxy-5-tert-butyl-phenyl)-hexanoic acid

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6,6-Bis-(2-methyl-4-hydroxy-5-tert-butyl-phenyl)-hexanoic acid
SpectraBase Compound ID k761Z9TapT
InChI InChI=1S/C28H40O4/c1-17-13-24(29)22(27(3,4)5)15-20(17)19(11-9-10-12-26(31)32)21-16-23(28(6,7)8)25(30)14-18(21)2/h13-16,19,29-30H,9-12H2,1-8H3,(H,31,32)
InChIKey AEXHHJZXESDRPN-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iBCTvDU3JA
Name 6,6-bis-(2-Methyl-4-hydroxy-5-tert-butyl-phenyl)-hexanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.292659764 u
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-17-13-24(29)22(27(3,4)5)15-20(17)19(11-9-10-12-26(31)32)21-16-23(28(6,7)8)25(30)14-18(21)2/h13-16,19,29-30H,9-12H2,1-8H3,(H,31,32)
InChIKey AEXHHJZXESDRPN-UHFFFAOYSA-N
Molecular Weight 440.624 g/mol
SMILES C1(C(C2=CC(C(C)(C)C)=C(C=C2C)O)CCCCC(=O)O)=CC(C(C)(C)C)=C(C=C1C)O