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

*Links on SpectraBase are not permalinks.

[(1S,2S)-1,2-dimethylpent-4-enyl]benzene

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

[(1S,2S)-1,2-dimethylpent-4-enyl]benzene
SpectraBase Compound ID FFvWrTNfjrU
InChI InChI=1S/C13H18/c1-4-8-11(2)12(3)13-9-6-5-7-10-13/h4-7,9-12H,1,8H2,2-3H3/t11-,12-/m0/s1
InChIKey KZARCDLAWDJUCQ-RYUDHWBXSA-N
Mol Weight 174.29 g/mol
Molecular Formula C13H18
Exact Mass 174.140851 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 7KiGiEZdsOk
Name [(1S,2S)-1,2-Dimethylpent-4-enyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.140850580 u
Formula C13H18
InChI InChI=1S/C13H18/c1-4-8-11(2)12(3)13-9-6-5-7-10-13/h4-7,9-12H,1,8H2,2-3H3/t11-,12-/m0/s1
InChIKey KZARCDLAWDJUCQ-RYUDHWBXSA-N
Molecular Weight 174.287 g/mol
SMILES [C@](C=1C=CC=CC1)([C@](CC=C)(C)[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942754