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5(2H)-Oxazolone, 2,2-dimethyl-4-(phenylthio)-

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5(2H)-Oxazolone, 2,2-dimethyl-4-(phenylthio)-
SpectraBase Compound ID 2DFX1bVAFWB
InChI InChI=1S/C11H11NO2S/c1-11(2)12-9(10(13)14-11)15-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey UEMWSIOUCISNNN-UHFFFAOYSA-N
Mol Weight 221.27 g/mol
Molecular Formula C11H11NO2S
Exact Mass 221.05105 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KyNJnfVtwWu
Name 5(2H)-Oxazolone, 2,2-dimethyl-4-(phenylthio)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.051049770 u
Formula C11H11NO2S
InChI InChI=1S/C11H11NO2S/c1-11(2)12-9(10(13)14-11)15-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey UEMWSIOUCISNNN-UHFFFAOYSA-N
Molecular Weight 221.274 g/mol
SMILES C1(=NC(OC1=O)(C)C)SC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928022