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(E)-4-Oxo-4-(1',2',2'-trimethyl-cyclopentyl)-but-2-enonitrile
SpectraBase Compound ID FJ3xQKjfiuO
InChI InChI=1S/C12H17NO/c1-11(2)7-5-8-12(11,3)10(14)6-4-9-13/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKey OPVPENJATWSZOC-GQCTYLIASA-N
Mol Weight 191.27 g/mol
Molecular Formula C12H17NO
Exact Mass 191.131014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9zIOG4ux3w
Name (E)-4-Oxo-4-(1',2',2'-trimethyl-cyclopentyl)-but-2-enonitrile
CAS Registry Number 114145-03-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17NO
InChI InChI=1S/C12H17NO/c1-11(2)7-5-8-12(11,3)10(14)6-4-9-13/h4,6H,5,7-8H2,1-3H3/b6-4+
InChIKey OPVPENJATWSZOC-GQCTYLIASA-N
Instrument Name Jeol FX-60
Literature Reference K. Ishii, M. Abe, M. Sakamoto, J. Chem. Soc. Perkin I 1937 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3