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Dibenzo[a,e]cyclooctene

View entire compound with spectra: 5 NMR, 1 FTIR, and 3 MS (GC)

Dibenzo[a,e]cyclooctene
SpectraBase Compound ID 1vqVHYQV6Hw
InChI InChI=1S/C16H12/c1-2-6-14-11-12-16-8-4-3-7-15(16)10-9-13(14)5-1/h1-12H/b10-9-,12-11-,13-9-,14-11-,15-10-,16-12-
InChIKey VGQWCQNHAMVTJY-YFDRDTFESA-N
Mol Weight 204.27 g/mol
Molecular Formula C16H12
Exact Mass 204.0939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JY1y9PA2vg8
Name Dibenzo[A,E]cyclooctene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.093900386 u
Formula C16H12
InChI InChI=1S/C16H12/c1-2-6-14-11-12-16-8-4-3-7-15(16)10-9-13(14)5-1/h1-12H/b10-9-,12-11-,13-9-,14-11-,15-10-,16-12-
InChIKey VGQWCQNHAMVTJY-YFDRDTFESA-N
Molecular Weight 204.272 g/mol
SMILES C12=C(\C=C/C3=C(\C=C/2)C=CC=C3)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954554