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Trans-4-tert.-butyl-1-phenylcyclohexan

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 MS (GC)

Trans-4-tert.-butyl-1-phenylcyclohexan
SpectraBase Compound ID 86l60jtxEds
InChI InChI=1S/C16H24/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChIKey IFXCOYNVCPQJIP-UHFFFAOYSA-N
Mol Weight 216.37 g/mol
Molecular Formula C16H24
Exact Mass 216.187801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 53L9lbZ4vZC
Name Trans-4-tert.-butyl-1-phenylcyclohexan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.187800773 u
Formula C16H24
InChI InChI=1S/C16H24/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChIKey IFXCOYNVCPQJIP-UHFFFAOYSA-N
Molecular Weight 216.368 g/mol
SMILES C1C(C2=CC=CC=C2)CCC(C(C)(C)C)C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971352