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2-{Bicyclo[2.2.1]heptan-2-yl}-4-tert-butylphenol

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

2-{Bicyclo[2.2.1]heptan-2-yl}-4-tert-butylphenol
SpectraBase Compound ID 2V3qGL9ykhj
InChI InChI=1S/C17H24O/c1-17(2,3)13-6-7-16(18)15(10-13)14-9-11-4-5-12(14)8-11/h6-7,10-12,14,18H,4-5,8-9H2,1-3H3/t11-,12+,14-/m1/s1
InChIKey QPLVBFMXIVUKQD-MBNYWOFBSA-N
Mol Weight 244.38 g/mol
Molecular Formula C17H24O
Exact Mass 244.182715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHGhcEXGPYy
Name 2-{Bicyclo[2.2.1]heptan-2-yl}-4-tert-butylphenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.182715392 u
Formula C17H24O
InChI InChI=1S/C17H24O/c1-17(2,3)13-6-7-16(18)15(10-13)14-9-11-4-5-12(14)8-11/h6-7,10-12,14,18H,4-5,8-9H2,1-3H3/t11-,12+,14-/m1/s1
InChIKey QPLVBFMXIVUKQD-MBNYWOFBSA-N
Molecular Weight 244.378 g/mol
SMILES C1=C(C(=CC(=C1)C(C)(C)C)[C@@]1(C[C@@]2(CC[C@]1(C2)[H])[H])[H])O