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9-Cycloheptatrienylidene-9,10-dihydro-10-oxoanthracene

View entire compound with spectra: 1 FTIR

9-Cycloheptatrienylidene-9,10-dihydro-10-oxoanthracene
SpectraBase Compound ID 45hZ4diTts9
InChI InChI=1S/C21H14O/c22-21-18-13-7-5-11-16(18)20(15-9-3-1-2-4-10-15)17-12-6-8-14-19(17)21/h1-14H
InChIKey HFATXAZIFBZFMI-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C21H14O
Exact Mass 282.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bg4mwcumKMK
Name 9-Cycloheptatrienylidene-9,10-dihydro-10-oxoanthracene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.104465070 u
Formula C21H14O
InChI InChI=1S/C21H14O/c22-21-18-13-7-5-11-16(18)20(15-9-3-1-2-4-10-15)17-12-6-8-14-19(17)21/h1-14H
InChIKey HFATXAZIFBZFMI-UHFFFAOYSA-N
SMILES C12=C(C(C=3C(C2=C2C=CC=CC=C2)=CC=CC3)=O)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943066