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1-Trifluoroacetyl-2-adamantanol

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1-Trifluoroacetyl-2-adamantanol
SpectraBase Compound ID IobQmOJhNuV
InChI InChI=1S/C12H15F3O2/c13-12(14,15)10(17)11-4-6-1-7(5-11)3-8(2-6)9(11)16/h6-9,16H,1-5H2
InChIKey TYELHMHEAVPFGU-UHFFFAOYSA-N
Mol Weight 248.25 g/mol
Molecular Formula C12H15F3O2
Exact Mass 248.102414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mQoiv76zk
Name 1-Trifluoroacetyl-2-adamantanol
CAS Registry Number 80103-00-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H15F3O2
InChI InChI=1S/C12H15F3O2/c13-12(14,15)10(17)11-4-6-1-7(5-11)3-8(2-6)9(11)16/h6-9,16H,1-5H2
InChIKey TYELHMHEAVPFGU-UHFFFAOYSA-N
Literature Reference N.A. Marron, J.E. Gano, J. Am. Chem. Soc. 98, 4653 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3