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Cyclohexanecarbonitrile, 2-phenyl-, cis-
SpectraBase Compound ID 3BbuCSFgSxg
InChI InChI=1S/C13H15N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-9H2/t12-,13+/m0/s1
InChIKey OANXCEQREFYAIQ-QWHCGFSZSA-N
Mol Weight 185.27 g/mol
Molecular Formula C13H15N
Exact Mass 185.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GkGbcudl2
Name Cyclohexanecarbonitrile, 2-phenyl-, cis-
CAS Registry Number 65831-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N
InChI InChI=1S/C13H15N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-9H2/t12-,13+/m0/s1
InChIKey OANXCEQREFYAIQ-QWHCGFSZSA-N
Molecular Weight 185.270 g/mol
SMILES C(#N)[C@]1([C@@](c2ccccc2)(CCCC1)[H])[H]
SPLASH splash10-014l-5900000000-7540f8381521b9f4d758
Source of Spectrum C-100-540-0
Synonyms (1R,2S)-2-phenylcyclohexanecarbonitrile cis-1-cyano-2-phenylcyclohexane
Wiley ID 1182087