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2(R)-Chloro-4(S),5-dimethyl-5-hexenenitrile
SpectraBase Compound ID EN2YK6kxQQB
InChI InChI=1S/C8H12ClN/c1-6(2)7(3)4-8(9)5-10/h7-8H,1,4H2,2-3H3
InChIKey BLVQRFIABGOHBO-UHFFFAOYSA-N
Mol Weight 157.64 g/mol
Molecular Formula C8H12ClN
Exact Mass 157.065827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4VgwRWiw2K
Name 2(R)-Chloro-4(S),5-dimethyl-5-hexenenitrile
CAS Registry Number 80865-10-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12ClN
InChI InChI=1S/C8H12ClN/c1-6(2)7(3)4-8(9)5-10/h7-8H,1,4H2,2-3H3
InChIKey BLVQRFIABGOHBO-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference J.V. Duncia, P.T. Lansbury, T. Miller, J. Am. Chem. Soc. 104, 1930 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3