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1,A-Epoxy-A-methyl-trans-4-tert-butyl-cyclohexaneacetonitrile
SpectraBase Compound ID 69PsOXZnA67
InChI InChI=1S/C13H21NO/c1-11(2,3)10-5-7-13(8-6-10)12(4,9-14)15-13/h10H,5-8H2,1-4H3/t10-,12?,13+
InChIKey JJXGISLLSLKGEX-GXZFXSOFSA-N
Mol Weight 207.32 g/mol
Molecular Formula C13H21NO
Exact Mass 207.162314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFHIYrkpCA7
Name 1,A-Epoxy-A-methyl-trans-4-tert-butyl-cyclohexaneacetonitrile
CAS Registry Number 68250-37-3
Comments from 1:1-isomeric mixture
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H21NO
InChI InChI=1S/C13H21NO/c1-11(2,3)10-5-7-13(8-6-10)12(4,9-14)15-13/h10H,5-8H2,1-4H3/t10-,12?,13+
InChIKey JJXGISLLSLKGEX-GXZFXSOFSA-N
Instrument Name Varian CFT-20
Literature Reference T. Bottin-Strzalko, M.C. Roux-Schmitt, Org. Magn. Resonance 14, 145 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3