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4-Nitrothiophenol, S-(2-methylpropionyl)-

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Nitrothiophenol, S-(2-methylpropionyl)-
SpectraBase Compound ID BQvMdG3Ce6T
InChI InChI=1S/C10H11NO3S/c1-7(2)10(12)15-9-5-3-8(4-6-9)11(13)14/h3-7H,1-2H3
InChIKey YCXHKQPHKQBMSW-UHFFFAOYSA-N
Mol Weight 225.26 g/mol
Molecular Formula C10H11NO3S
Exact Mass 225.045964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2NMEYAUiX9b
Name 4-Nitrothiophenol, S-(2-methylpropionyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.045964389 u
Formula C10H11NO3S
InChI InChI=1S/C10H11NO3S/c1-7(2)10(12)15-9-5-3-8(4-6-9)11(13)14/h3-7H,1-2H3
InChIKey YCXHKQPHKQBMSW-UHFFFAOYSA-N
Molecular Weight 225.262 g/mol
SMILES C1(SC(C(C)C)=O)=CC=C(C=C1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884675