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5,12-Dioxa-chrysene-6,11-dione

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

5,12-Dioxa-chrysene-6,11-dione
SpectraBase Compound ID 5OojIOssZ5l
InChI InChI=1S/C16H8O4/c17-15-10-6-2-1-5-9(10)13-14(20-15)11-7-3-4-8-12(11)19-16(13)18/h1-8H
InChIKey CQOQPUAAVDHXQM-UHFFFAOYSA-N
Mol Weight 264.24 g/mol
Molecular Formula C16H8O4
Exact Mass 264.042259 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DsxYx96cLLb
Name 5,12-Dioxa-chrysene-6,11-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.042258734 u
Formula C16H8O4
InChI InChI=1S/C16H8O4/c17-15-10-6-2-1-5-9(10)13-14(20-15)11-7-3-4-8-12(11)19-16(13)18/h1-8H
InChIKey CQOQPUAAVDHXQM-UHFFFAOYSA-N
Molecular Weight 264.236 g/mol
SMILES C12=C(OC(C3=C2C=CC=C3)=O)C=2C=CC=CC2OC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974792