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(1R,5S)-5-tert-butyl-1-cyclohex-2-enecarbonitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(1R,5S)-5-tert-butyl-1-cyclohex-2-enecarbonitrile
SpectraBase Compound ID LRpiENSIhfk
InChI InChI=1S/C11H17N/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-5,9-10H,6-7H2,1-3H3/t9-,10-/m0/s1
InChIKey UGPMHGVXZDKRNL-UWVGGRQHSA-N
Mol Weight 163.26 g/mol
Molecular Formula C11H17N
Exact Mass 163.1361 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9jTH5tkQlRU
Name (1R,5S)-5-Tert-butyl-1-cyclohex-2-enecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 163.136099551 u
Formula C11H17N
InChI InChI=1S/C11H17N/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-5,9-10H,6-7H2,1-3H3/t9-,10-/m0/s1
InChIKey UGPMHGVXZDKRNL-UWVGGRQHSA-N
Molecular Weight 163.264 g/mol
SMILES C(#N)[C@@]1(C[C@@](C(C)(C)C)(CC=C1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952745