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(1S,3R,4R)-4(ax)-tert-Butyl-2-adamantanone

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(1S,3R,4R)-4(ax)-tert-Butyl-2-adamantanone
SpectraBase Compound ID 6EFjTXV6E2P
InChI InChI=1S/C14H22O/c1-14(2,3)12-9-4-8-5-10(7-9)13(15)11(12)6-8/h8-12H,4-7H2,1-3H3
InChIKey KPUXFIDKECPHTH-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DhaNmRlooT5
Name (1S,3R,4R)-4(ax)-tert-Butyl-2-adamantanone
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-14(2,3)12-9-4-8-5-10(7-9)13(15)11(12)6-8/h8-12H,4-7H2,1-3H3
InChIKey KPUXFIDKECPHTH-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference D.A. Lightner, T.D. Bouman, W.M. Wijekoon, J. Am. Chem. Soc. 108, 4484 (1986).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3