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(1S,2S)-2-[2-(2-Oxopropyl)cyclohexyl]ethanenitrile
SpectraBase Compound ID 1GbdaY2YB1K
InChI InChI=1S/C11H17NO/c1-9(13)8-11-5-3-2-4-10(11)6-7-12/h10-11H,2-6,8H2,1H3/t10-,11-/m0/s1
InChIKey DTLDFGYZXXUXQR-QWRGUYRKSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Syalfi0Hr7
Name (1S,2S)-2-[2-(2-Oxopropyl)cyclohexyl]ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-9(13)8-11-5-3-2-4-10(11)6-7-12/h10-11H,2-6,8H2,1H3/t10-,11-/m0/s1
InChIKey DTLDFGYZXXUXQR-QWRGUYRKSA-N
Molecular Weight 179.263 g/mol
SMILES C(#N)C[C@]1([C@](CC(=O)C)(CCCC1)[H])[H]
SPLASH splash10-0a4i-9100000000-ac37155c5b06fe1819ae
Source of Spectrum C-119-8786-35
Synonyms trans-2-[2'-(2''-Oxo-propyl)cyclohexyl]ethanenitrile trans-2-[2-(2-Oxopropyl)cyclohexyl]ethanenitrile [(1S,2S)-2-(2-oxopropyl)cyclohexyl]acetonitrile
Wiley ID 760620