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13H-Dibenzo[b,i]xanthren-13-one

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

13H-Dibenzo[b,i]xanthren-13-one
SpectraBase Compound ID NkSCHGDPdT
InChI InChI=1S/C21H12O2/c22-21-17-9-13-5-1-3-7-15(13)11-19(17)23-20-12-16-8-4-2-6-14(16)10-18(20)21/h1-12H
InChIKey RGHYKWNUBSZRRX-UHFFFAOYSA-N
Mol Weight 296.33 g/mol
Molecular Formula C21H12O2
Exact Mass 296.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CeZNhsyBTCX
Name 13H-Dibenzo[B,I]xanthren-13-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.083729624 u
Formula C21H12O2
InChI InChI=1S/C21H12O2/c22-21-17-9-13-5-1-3-7-15(13)11-19(17)23-20-12-16-8-4-2-6-14(16)10-18(20)21/h1-12H
InChIKey RGHYKWNUBSZRRX-UHFFFAOYSA-N
Molecular Weight 296.325 g/mol
SMILES C1=2C(C=3C=C4C=CC=CC4=CC3OC2C=C2C(=C1)C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916479