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[(1R,2S)-2-allylcyclopentyl]benzene

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

[(1R,2S)-2-allylcyclopentyl]benzene
SpectraBase Compound ID 4JjOU0VAJem
InChI InChI=1S/C14H18/c1-2-7-12-10-6-11-14(12)13-8-4-3-5-9-13/h2-5,8-9,12,14H,1,6-7,10-11H2/t12-,14-/m1/s1
InChIKey CPUGAGASJZLSSR-TZMCWYRMSA-N
Mol Weight 186.3 g/mol
Molecular Formula C14H18
Exact Mass 186.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5ZpCLwIbNWJ
Name [(1R,2S)-2-Allylcyclopentyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.140850580 u
Formula C14H18
InChI InChI=1S/C14H18/c1-2-7-12-10-6-11-14(12)13-8-4-3-5-9-13/h2-5,8-9,12,14H,1,6-7,10-11H2/t12-,14-/m1/s1
InChIKey CPUGAGASJZLSSR-TZMCWYRMSA-N
Molecular Weight 186.298 g/mol
SMILES [C@@]1(C2=CC=CC=C2)([C@](CC=C)(CCC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948303