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1-[(1S,2S)-2-phenylcyclopropyl]cyclohexanecarbonitrile
SpectraBase Compound ID 8roGMkeOeNa
InChI InChI=1S/C16H19N/c17-12-16(9-5-2-6-10-16)15-11-14(15)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-11H2/t14-,15+/m1/s1
InChIKey PCEPHJUPJXIMCI-CABCVRRESA-N
Mol Weight 225.33 g/mol
Molecular Formula C16H19N
Exact Mass 225.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3f10QBne6kk
Name 1-[(1S,2S)-2-phenylcyclopropyl]cyclohexanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.151749616 u
Formula C16H19N
InChI InChI=1S/C16H19N/c17-12-16(9-5-2-6-10-16)15-11-14(15)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-11H2/t14-,15+/m1/s1
InChIKey PCEPHJUPJXIMCI-CABCVRRESA-N
Ionization Type EI
Molecular Weight 225.335 g/mol
Quality 176
Reported Formula C16H19N
SMILES C1CC(CCC1)([C@@]1([C@](C1)(C1=CC=CC=C1)[H])[H])C#N
SPLASH splash10-014i-1910000000-4199f5de02a204ee3dd9
Source of Spectrum CN111362832B
Wiley ID 1894749