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1,1-bis(3-Methyl-4-hydroxyphenyl)cyclohexane, acetate

View entire compound with spectra: 1 NMR

1,1-bis(3-Methyl-4-hydroxyphenyl)cyclohexane, acetate
SpectraBase Compound ID 4DMfj5D5392
InChI InChI=1S/C22H26O3/c1-15-13-18(7-9-20(15)24)22(11-5-4-6-12-22)19-8-10-21(16(2)14-19)25-17(3)23/h7-10,13-14,24H,4-6,11-12H2,1-3H3
InChIKey QZTAJSAEFZGGID-UHFFFAOYSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1YsTwxlNkH
Name 1,1-bis(3-Methyl-4-hydroxyphenyl)cyclohexane, acetate
Comments Computed using HOSE algorithm
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Exact Mass 338.188194694 u
Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-15-13-18(7-9-20(15)24)22(11-5-4-6-12-22)19-8-10-21(16(2)14-19)25-17(3)23/h7-10,13-14,24H,4-6,11-12H2,1-3H3
InChIKey QZTAJSAEFZGGID-UHFFFAOYSA-N
Molecular Weight 338.447 g/mol
SMILES C1(O)=C(C=C(C=C1)C1(CCCCC1)C1=CC(=C(C=C1)OC(C)=O)C)C