Debug Info

object
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_id
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HwJqBlvgW4y
spectrumID
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HwJqBlvgW4y
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specType
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analyticalTechnique
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Vapor Phase IR
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Vapor Phase (Gas) Infrared Spectrum
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Dibenz[a,j]anthracene-5,6-quinone
SpectraBase Compound ID 4avOBmbgf7z
InChI InChI=1S/C22H12O2/c23-21-17-8-4-3-7-16(17)19-12-18-14(11-20(19)22(21)24)10-9-13-5-1-2-6-15(13)18/h1-12H
InChIKey DWSGCTNHBVQEOP-UHFFFAOYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C22H12O2
Exact Mass 308.08373 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HwJqBlvgW4y
Name Dibenz[A,J]anthracene-5,6-quinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.083729624 u
Formula C22H12O2
InChI InChI=1S/C22H12O2/c23-21-17-8-4-3-7-16(17)19-12-18-14(11-20(19)22(21)24)10-9-13-5-1-2-6-15(13)18/h1-12H
InChIKey DWSGCTNHBVQEOP-UHFFFAOYSA-N
Molecular Weight 308.336 g/mol
SMILES C1=C2C(=C3C(=C1)C=C1C(=C3)C3=C(C=CC=C3)C(C1=O)=O)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908464
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