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1-4'-t-Butylcyclohex-1'-enyl)hex-1-yne

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

1-4'-t-Butylcyclohex-1'-enyl)hex-1-yne
SpectraBase Compound ID OF7YMAlxDS
InChI InChI=1S/C16H26/c1-5-6-7-8-9-14-10-12-15(13-11-14)16(2,3)4/h10,15H,5-7,11-13H2,1-4H3
InChIKey SILSQQPCNZXSGT-UHFFFAOYSA-N
Mol Weight 218.38 g/mol
Molecular Formula C16H26
Exact Mass 218.203451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4iK5kFypKb8
Name 1-4'-T-Butylcyclohex-1'-enyl)hex-1-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.203450837 u
Formula C16H26
InChI InChI=1S/C16H26/c1-5-6-7-8-9-14-10-12-15(13-11-14)16(2,3)4/h10,15H,5-7,11-13H2,1-4H3
InChIKey SILSQQPCNZXSGT-UHFFFAOYSA-N
Molecular Weight 218.384 g/mol
SMILES C(#CCCCC)C1=CCC(C(C)(C)C)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907108