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9,10-Dihydrocyclobuta[a]triphenylene-11,12-dione

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

9,10-Dihydrocyclobuta[a]triphenylene-11,12-dione
SpectraBase Compound ID JIF0eDp3Rd0
InChI InChI=1S/C20H12O2/c21-19-16-10-9-15-13-7-2-1-5-11(13)12-6-3-4-8-14(12)17(15)18(16)20(19)22/h1-8H,9-10H2
InChIKey IWCXDOJZZZJWSK-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C20H12O2
Exact Mass 284.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ADGcuCSW0ub
Name 9,10-Dihydrocyclobuta[A]triphenylene-11,12-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.083729624 u
Formula C20H12O2
InChI InChI=1S/C20H12O2/c21-19-16-10-9-15-13-7-2-1-5-11(13)12-6-3-4-8-14(12)17(15)18(16)20(19)22/h1-8H,9-10H2
InChIKey IWCXDOJZZZJWSK-UHFFFAOYSA-N
SMILES C12=C(CCC3=C2C=2C(C=4C=CC=CC34)=CC=CC2)C(C1=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833083