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(3-Methyl-1-phenyl-but-3-enyl)benzene

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

(3-Methyl-1-phenyl-but-3-enyl)benzene
SpectraBase Compound ID 1PDvpqoVrzQ
InChI InChI=1S/C17H18/c1-14(2)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,1,13H2,2H3
InChIKey CQWHVQROMSVLQI-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C17H18
Exact Mass 222.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1lx9tNV0xjc
Name (3-Methyl-1-phenyl-but-3-enyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.140850580 u
Formula C17H18
InChI InChI=1S/C17H18/c1-14(2)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,1,13H2,2H3
InChIKey CQWHVQROMSVLQI-UHFFFAOYSA-N
Molecular Weight 222.331 g/mol
SMILES C(CC(=C)C)(C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985696