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Tribenzo[a,e,i]cyclododecene

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

Tribenzo[a,e,i]cyclododecene
SpectraBase Compound ID 1DsTxvyZhEn
InChI InChI=1S/C24H18/c1-2-8-20-15-16-22-10-5-6-12-24(22)18-17-23-11-4-3-9-21(23)14-13-19(20)7-1/h1-18H/b14-13+,16-15+,18-17+,19-13-,20-15+,21-14+,22-16-,23-17-,24-18+
InChIKey QSYLTWVFVYAICO-BMAIBDLQSA-N
Mol Weight 306.41 g/mol
Molecular Formula C24H18
Exact Mass 306.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EVosbaVrwfw
Name Tribenzo[A,E,I]cyclododecene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.140850580 u
Formula C24H18
InChI InChI=1S/C24H18/c1-2-8-20-15-16-22-10-5-6-12-24(22)18-17-23-11-4-3-9-21(23)14-13-19(20)7-1/h1-18H/b14-13+,16-15+,18-17+,19-13-,20-15+,21-14+,22-16-,23-17-,24-18+
InChIKey QSYLTWVFVYAICO-BMAIBDLQSA-N
SMILES C1=CC=2\C=C\C=3C=CC=CC3\C=C\C=3C(\C=C\C2C=C1)=CC=CC3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876184