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2-(2-Cyano-ethyl)-2-benzyl-5,5-dimethyl-cyclohexa-1,3-dione
SpectraBase Compound ID ETJ6nx2EQ4S
InChI InChI=1S/C18H21NO2/c1-17(2)12-15(20)18(9-6-10-19,16(21)13-17)11-14-7-4-3-5-8-14/h3-5,7-8H,6,9,11-13H2,1-2H3
InChIKey PYDPNZRCVHDTPH-UHFFFAOYSA-N
Mol Weight 283.37 g/mol
Molecular Formula C18H21NO2
Exact Mass 283.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID b1LtgaUzCV
Name 2-(2-Cyano-ethyl)-2-benzyl-5,5-dimethyl-cyclohexa-1,3-dione
CAS Registry Number 69703-42-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H21NO2
InChI InChI=1S/C18H21NO2/c1-17(2)12-15(20)18(9-6-10-19,16(21)13-17)11-14-7-4-3-5-8-14/h3-5,7-8H,6,9,11-13H2,1-2H3
InChIKey PYDPNZRCVHDTPH-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.R. Mahajan, J. Chem. Soc. Perkin I 1434 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3