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2-[(1S,2S)-2-iodocyclohexyl]acetonitrile

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2-[(1S,2S)-2-iodocyclohexyl]acetonitrile
SpectraBase Compound ID 8M9LsCQLMRy
InChI InChI=1S/C8H12IN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-5H2/t7-,8-/m0/s1
InChIKey XMFGLWXUYDAVAI-YUMQZZPRSA-N
Mol Weight 249.1 g/mol
Molecular Formula C8H12IN
Exact Mass 249.001444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bz9osFwdmFK
Name 2-[(1S,2S)-2-iodocyclohexyl]acetonitrile
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12IN
InChI InChI=1S/C8H12IN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-5H2/t7-,8-/m0/s1
InChIKey XMFGLWXUYDAVAI-YUMQZZPRSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 249.094 g/mol
Source File Reference MHKO22120