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3-(Adamantan-1-yl)-5-tert-butylbenzene-1,2-diol

View entire compound with spectra: 1 NMR

3-(Adamantan-1-yl)-5-tert-butylbenzene-1,2-diol
SpectraBase Compound ID Eqd8D2stmV1
InChI InChI=1S/C20H28O2/c1-19(2,3)15-7-16(18(22)17(21)8-15)20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14,21-22H,4-6,9-11H2,1-3H3/t12-,13+,14-,20-
InChIKey OPDBVLFPNQOYDJ-OYEQCZOJSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hjqm6X3tIy
Name 3-(Adamantan-1-yl)-5-tert-butylbenzene-1,2-diol
Comments Computed using HOSE algorithm
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Exact Mass 300.208930140 u
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-19(2,3)15-7-16(18(22)17(21)8-15)20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14,21-22H,4-6,9-11H2,1-3H3/t12-,13+,14-,20-
InChIKey OPDBVLFPNQOYDJ-OYEQCZOJSA-N
SMILES C1=C(C=C(C(=C1C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])O)O)C(C)(C)C