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1-(4-Tert-butylcyclohexyl)-1-propanol(PK2); cyclohexanemethanol, 4-(1,1-dimethylethyl)-alpha-ethyl-, cis-mixture with trans-

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1-(4-Tert-butylcyclohexyl)-1-propanol(PK2); cyclohexanemethanol, 4-(1,1-dimethylethyl)-alpha-ethyl-, cis-mixture with trans-
SpectraBase Compound ID eWsrlcM7Ec
InChI InChI=1S/C13H26O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h10-12,14H,5-9H2,1-4H3
InChIKey MOIDOWNIRCVQFD-UHFFFAOYSA-N
Mol Weight 198.35 g/mol
Molecular Formula C13H26O
Exact Mass 198.198365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcB9VwLGNih
Name 1-(4-Tert-butylcyclohexyl)-1-propanol(PK2); cyclohexanemethanol, 4-(1,1-dimethylethyl)-alpha-ethyl-, cis-mixture with trans-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.198365456 u
Formula C13H26O
InChI InChI=1S/C13H26O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h10-12,14H,5-9H2,1-4H3
InChIKey MOIDOWNIRCVQFD-UHFFFAOYSA-N
Molecular Weight 198.350 g/mol
SMILES OC(C1CCC(CC1)C(C)(C)C)CC