For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(E)-1-(Methylcyclopentyl)-2-butylethylene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(E)-1-(Methylcyclopentyl)-2-butylethylene
SpectraBase Compound ID 3p6NIE55Cr7
InChI InChI=1S/C12H22/c1-3-4-5-6-9-12-10-7-8-11(12)2/h6,9,11-12H,3-5,7-8,10H2,1-2H3/b9-6+/t11-,12-/m0/s1
InChIKey WLILMKCFALMKPF-PLEIZWCUSA-N
Mol Weight 166.31 g/mol
Molecular Formula C12H22
Exact Mass 166.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HzDIRnUg68J
Name (E)-1-(Methylcyclopentyl)-2-butylethylene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.172150708 u
Formula C12H22
InChI InChI=1S/C12H22/c1-3-4-5-6-9-12-10-7-8-11(12)2/h6,9,11-12H,3-5,7-8,10H2,1-2H3/b9-6+/t11-,12-/m0/s1
InChIKey WLILMKCFALMKPF-PLEIZWCUSA-N
Molecular Weight 166.308 g/mol
SMILES [C@@]1(\C=C\CCCC)([C@](CCC1)(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972976