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1-[(1S,2S,4S)-4-tert-butyl-2-ethenyl-cyclohexyl]ethanone

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

1-[(1S,2S,4S)-4-tert-butyl-2-ethenyl-cyclohexyl]ethanone
SpectraBase Compound ID 577qmgH1mk
InChI InChI=1S/C14H24O/c1-6-11-9-12(14(3,4)5)7-8-13(11)10(2)15/h6,11-13H,1,7-9H2,2-5H3/t11-,12+,13-/m1/s1
InChIKey GZFBXFYQRWKFLZ-FRRDWIJNSA-N
Mol Weight 208.34 g/mol
Molecular Formula C14H24O
Exact Mass 208.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID kJlNMIcKKS
Name 1-[(1S,2S,4S)-4-Tert-butyl-2-ethenyl-cyclohexyl]ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.182715392 u
Formula C14H24O
InChI InChI=1S/C14H24O/c1-6-11-9-12(14(3,4)5)7-8-13(11)10(2)15/h6,11-13H,1,7-9H2,2-5H3/t11-,12+,13-/m1/s1
InChIKey GZFBXFYQRWKFLZ-FRRDWIJNSA-N
Molecular Weight 208.345 g/mol
SMILES [C@]1([C@](CC[C@@](C1)(C(C)(C)C)[H])(C(=O)C)[H])(C=C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904944