For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(2-Cyano-ethyl)-2,5,5-trimethyl-cyclohexa-1,3-dione
SpectraBase Compound ID BqPwc9KGOp1
InChI InChI=1S/C12H17NO2/c1-11(2)7-9(14)12(3,5-4-6-13)10(15)8-11/h4-5,7-8H2,1-3H3
InChIKey ORJNYLAHZNWRRM-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 47kRTtsdocF
Name 2-(2-Cyano-ethyl)-2,5,5-trimethyl-cyclohexa-1,3-dione
CAS Registry Number 58622-50-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-11(2)7-9(14)12(3,5-4-6-13)10(15)8-11/h4-5,7-8H2,1-3H3
InChIKey ORJNYLAHZNWRRM-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