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9,10-Dioxo-1-anthracenecarbonitrile

View entire compound with spectra: 1 FTIR

9,10-Dioxo-1-anthracenecarbonitrile
SpectraBase Compound ID 8tOf5ABG3om
InChI InChI=1S/C15H7NO2/c16-8-9-4-3-7-12-13(9)15(18)11-6-2-1-5-10(11)14(12)17/h1-7H
InChIKey HNRGOVGFMBHMNW-UHFFFAOYSA-N
Mol Weight 233.23 g/mol
Molecular Formula C15H7NO2
Exact Mass 233.047678 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Mihz0alWFV
Name 9,10-Dioxo-1-anthracenecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.047678467 u
Formula C15H7NO2
InChI InChI=1S/C15H7NO2/c16-8-9-4-3-7-12-13(9)15(18)11-6-2-1-5-10(11)14(12)17/h1-7H
InChIKey HNRGOVGFMBHMNW-UHFFFAOYSA-N
Molecular Weight 233.226 g/mol
SMILES C12=CC=CC=C2C(C=2C(C1=O)=CC=CC2C#N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931253