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(3-(Tert-butyl)hexa-1,2,5-trien-1-yl)benzene

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

(3-(Tert-butyl)hexa-1,2,5-trien-1-yl)benzene
SpectraBase Compound ID 6AR9XRUScXV
InChI InChI=1S/C16H20/c1-5-9-15(16(2,3)4)13-12-14-10-7-6-8-11-14/h5-8,10-12H,1,9H2,2-4H3
InChIKey YFMXPZUHRVHHSH-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 2HtUdlPBmjF
Name (3-(Tert-butyl)hexa-1,2,5-trien-1-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/c1-5-9-15(16(2,3)4)13-12-14-10-7-6-8-11-14/h5-8,10-12H,1,9H2,2-4H3
InChIKey YFMXPZUHRVHHSH-UHFFFAOYSA-N
Molecular Weight 212.336 g/mol
SMILES C1(=CC=CC=C1)C=C=C(CC=C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967649