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(7,7-Dimethylocta-1,4,5-trien-4-yl)benzene

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

(7,7-Dimethylocta-1,4,5-trien-4-yl)benzene
SpectraBase Compound ID K5TNGsoNeDN
InChI InChI=1S/C16H20/c1-5-9-14(12-13-16(2,3)4)15-10-7-6-8-11-15/h5-8,10-11,13H,1,9H2,2-4H3
InChIKey MCEGPEOZUAOUFC-UHFFFAOYSA-N
Mol Weight 212.34 g/mol
Molecular Formula C16H20
Exact Mass 212.156501 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6UbH7qTVtrS
Name (7,7-Dimethylocta-1,4,5-trien-4-yl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.156500644 u
Formula C16H20
InChI InChI=1S/C16H20/c1-5-9-14(12-13-16(2,3)4)15-10-7-6-8-11-15/h5-8,10-11,13H,1,9H2,2-4H3
InChIKey MCEGPEOZUAOUFC-UHFFFAOYSA-N
Molecular Weight 212.336 g/mol
SMILES C1(=CC=CC=C1)C(CC=C)=C=CC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972764