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2,2-bis(4-Hydroxy-3-methylphenyl)-4-methylpentane, acetate

View entire compound with spectra: 1 NMR, and 1 FTIR

2,2-bis(4-Hydroxy-3-methylphenyl)-4-methylpentane, acetate
SpectraBase Compound ID 6O7PCoKUv2y
InChI InChI=1S/C22H28O3/c1-14(2)13-22(6,18-7-9-20(24)15(3)11-18)19-8-10-21(16(4)12-19)25-17(5)23/h7-12,14,24H,13H2,1-6H3
InChIKey SHGIHRZDAUTALR-UHFFFAOYSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Y7O8aYUD3Q
Name 2,2-bis(4-Hydroxy-3-methylphenyl)-4-methylpentane, acetate
Comments Computed using HOSE algorithm
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Exact Mass 340.203844759 u
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-14(2)13-22(6,18-7-9-20(24)15(3)11-18)19-8-10-21(16(4)12-19)25-17(5)23/h7-12,14,24H,13H2,1-6H3
InChIKey SHGIHRZDAUTALR-UHFFFAOYSA-N
Molecular Weight 340.463 g/mol
SMILES C1(O)=C(C=C(C=C1)C(CC(C)C)(C)C1=CC(=C(C=C1)OC(C)=O)C)C