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Phenoxathiine-2,3,7,8-tetracarbonitrile

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

Phenoxathiine-2,3,7,8-tetracarbonitrile
SpectraBase Compound ID 8UDxNHphhuD
InChI InChI=1S/C16H4N4OS/c17-5-9-1-13-15(3-11(9)7-19)22-16-4-12(8-20)10(6-18)2-14(16)21-13/h1-4H
InChIKey ACJHLIJGKISWSA-UHFFFAOYSA-N
Mol Weight 300.3 g/mol
Molecular Formula C16H4N4OS
Exact Mass 300.010582 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IyNw69fKcMf
Name Phenoxathiine-2,3,7,8-tetracarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.010581938 u
Formula C16H4N4OS
InChI InChI=1S/C16H4N4OS/c17-5-9-1-13-15(3-11(9)7-19)22-16-4-12(8-20)10(6-18)2-14(16)21-13/h1-4H
InChIKey ACJHLIJGKISWSA-UHFFFAOYSA-N
SMILES C=1C(=C(C=C2OC=3C=C(C(=CC3SC12)C#N)C#N)C#N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931427