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

View entire compound with spectra: 1 NMR

1,1-bis(3-Methyl-4-hydroxyphenyl)cyclohexane, trimethylacetate
SpectraBase Compound ID 8s6POhB9Z9N
InChI InChI=1S/C25H32O3/c1-17-15-19(9-11-21(17)26)25(13-7-6-8-14-25)20-10-12-22(18(2)16-20)28-23(27)24(3,4)5/h9-12,15-16,26H,6-8,13-14H2,1-5H3
InChIKey JXECOMVIGFYBHR-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C25H32O3
Exact Mass 380.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KC44J1Mj0Dy
Name 1,1-bis(3-Methyl-4-hydroxyphenyl)cyclohexane, trimethylacetate
Comments Computed using HOSE algorithm
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Exact Mass 380.235144887 u
Formula C25H32O3
InChI InChI=1S/C25H32O3/c1-17-15-19(9-11-21(17)26)25(13-7-6-8-14-25)20-10-12-22(18(2)16-20)28-23(27)24(3,4)5/h9-12,15-16,26H,6-8,13-14H2,1-5H3
InChIKey JXECOMVIGFYBHR-UHFFFAOYSA-N
Molecular Weight 380.528 g/mol
SMILES C1(O)=C(C=C(C=C1)C1(CCCCC1)C1=CC(=C(C=C1)OC(C(C)(C)C)=O)C)C