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4-tert-BUTYLCYCLOHEXANOL, ACETATE

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4-tert-BUTYLCYCLOHEXANOL, ACETATE
SpectraBase Compound ID DFx2VV5B2RZ
InChI InChI=1S/2C12H22O2/c2*1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h2*10-11H,5-8H2,1-4H3
InChIKey YMTQXKDIVUQTNB-UHFFFAOYSA-N
Mol Weight 396.61 g/mol
Molecular Formula C24H44O4
Exact Mass 396.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HONR3PyUbjk
Name 4-tert-BUTYLCYCLOHEXANOL, ACETATE
Source of Sample Research Organic/Inorganic Chemical Corporation, Belleville, New Jersey
Boiling Point 200C
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/2C12H22O2/c2*1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h2*10-11H,5-8H2,1-4H3
InChIKey YMTQXKDIVUQTNB-UHFFFAOYSA-N
Molecular Weight 198.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CYCLOHEXANOL, P-tert-BUTYL-, ACETATE