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1-(Methylsulfanyl)-2-[2-(methylsulfanyl)ethynyl]-4-nitrobenzene
SpectraBase Compound ID 6rjwTYnwnZV
InChI InChI=1S/C10H9NO2S2/c1-14-6-5-8-7-9(11(12)13)3-4-10(8)15-2/h3-4,7H,1-2H3
InChIKey GRMFKJMUSIFDJG-UHFFFAOYSA-N
Mol Weight 239.31 g/mol
Molecular Formula C10H9NO2S2
Exact Mass 239.007471 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IfZonR6C5sE
Name 1-(Methylsulfanyl)-2-[2-(methylsulfanyl)ethynyl]-4-nitrobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.007470880 u
Formula C10H9NO2S2
InChI InChI=1S/C10H9NO2S2/c1-14-6-5-8-7-9(11(12)13)3-4-10(8)15-2/h3-4,7H,1-2H3
InChIKey GRMFKJMUSIFDJG-UHFFFAOYSA-N
Molecular Weight 239.307 g/mol
SMILES C1(=C(C=CC(=C1)N(=O)=O)SC)C#CSC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875527