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3-[(1R,2S)-2-Cyanomethyl-2,3-dimethyl-cyclopent-3-en-1-yl]-propionitrile

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3-[(1R,2S)-2-Cyanomethyl-2,3-dimethyl-cyclopent-3-en-1-yl]-propionitrile
SpectraBase Compound ID Fz6NGy5sd5I
InChI InChI=1S/C12H16N2/c1-10-5-6-11(4-3-8-13)12(10,2)7-9-14/h5,11H,3-4,6-7H2,1-2H3
InChIKey KMAIIXUOTNQBQE-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C12H16N2
Exact Mass 188.131349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lbza7QvSVJ
Name 3-[(1R,2S)-2-Cyanomethyl-2,3-dimethyl-cyclopent-3-en-1-yl]-propionitrile
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16N2
InChI InChI=1S/C12H16N2/c1-10-5-6-11(4-3-8-13)12(10,2)7-9-14/h5,11H,3-4,6-7H2,1-2H3
InChIKey KMAIIXUOTNQBQE-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference R.V. Stevens, N. Beaulieu, W.H.Chan, J. Am. Chem. Soc. 108, 1039 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3