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2-(4-Nitrophenyl)sulfinyl-1,4-benzoquinone
SpectraBase Compound ID LTRX6vWAJ4v
InChI InChI=1S/C12H7NO5S/c14-9-3-6-11(15)12(7-9)19(18)10-4-1-8(2-5-10)13(16)17/h1-7H
InChIKey GXRXHFLXHKQCNS-UHFFFAOYSA-N
Mol Weight 277.25 g/mol
Molecular Formula C12H7NO5S
Exact Mass 277.004493 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID s5utZUJDaE
Name 2-(4-Nitrophenyl)sulfinyl-1,4-benzoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.004493498 u
Formula C12H7NO5S
InChI InChI=1S/C12H7NO5S/c14-9-3-6-11(15)12(7-9)19(18)10-4-1-8(2-5-10)13(16)17/h1-7H
InChIKey GXRXHFLXHKQCNS-UHFFFAOYSA-N
SMILES C1(C(=CC(C=C1)=O)S(=O)C=1C=CC(=CC1)N(=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883062
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