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Hexa-1,2,5-triene-1,3-diyldibenzene

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

Hexa-1,2,5-triene-1,3-diyldibenzene
SpectraBase Compound ID aIP52uVoxO
InChI InChI=1S/C18H16/c1-2-9-17(18-12-7-4-8-13-18)15-14-16-10-5-3-6-11-16/h2-8,10-14H,1,9H2
InChIKey XSEQDAHOTFJRDL-UHFFFAOYSA-N
Mol Weight 232.33 g/mol
Molecular Formula C18H16
Exact Mass 232.125201 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4ajphVBmpa
Name Hexa-1,2,5-triene-1,3-diyldibenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.125200515 u
Formula C18H16
InChI InChI=1S/C18H16/c1-2-9-17(18-12-7-4-8-13-18)15-14-16-10-5-3-6-11-16/h2-8,10-14H,1,9H2
InChIKey XSEQDAHOTFJRDL-UHFFFAOYSA-N
Molecular Weight 232.326 g/mol
SMILES C(=C=C(CC=C)C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982012