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(E)-4-Acetoxy-3-cyano-2,2-dimethyl-hept-3-en-6-one

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(E)-4-Acetoxy-3-cyano-2,2-dimethyl-hept-3-en-6-one
SpectraBase Compound ID HKXQ1XtxwDe
InChI InChI=1S/C12H17NO3/c1-8(14)6-11(16-9(2)15)10(7-13)12(3,4)5/h6H2,1-5H3/b11-10-
InChIKey UURYVYQDURTASD-KHPPLWFESA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YLN5Wp701B
Name (E)-4-Acetoxy-3-cyano-2,2-dimethyl-hept-3-en-6-one
CAS Registry Number 68250-25-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-8(14)6-11(16-9(2)15)10(7-13)12(3,4)5/h6H2,1-5H3/b11-10-
InChIKey UURYVYQDURTASD-KHPPLWFESA-N
Literature Reference D. Becker, N.C. Brodsky, J. Chem. Soc. Chem. Comm. 237 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3