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Cyclohexane, 1-butyl-2-ethyl-, trans-

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

Cyclohexane, 1-butyl-2-ethyl-, trans-
SpectraBase Compound ID KkwA1AJB67H
InChI InChI=1S/C12H24/c1-3-5-8-12-10-7-6-9-11(12)4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKey HQQITQVSGARNMI-VXGBXAGGSA-N
Mol Weight 168.32 g/mol
Molecular Formula C12H24
Exact Mass 168.187801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DT1rQnu4PoJ
Name Cyclohexane, 1-butyl-2-ethyl-, trans-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.187800773 u
Formula C12H24
InChI InChI=1S/C12H24/c1-3-5-8-12-10-7-6-9-11(12)4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKey HQQITQVSGARNMI-VXGBXAGGSA-N
Molecular Weight 168.324 g/mol
SMILES [C@]1([C@](CCCC)(CCCC1)[H])(CC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852044