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4'-Mesyl-3'-methylacetanilide

View entire compound with spectra: 1 FTIR

4'-Mesyl-3'-methylacetanilide
SpectraBase Compound ID 1562nsQSvKR
InChI InChI=1S/C10H13NO3S/c1-7-6-9(11-8(2)12)4-5-10(7)15(3,13)14/h4-6H,1-3H3,(H,11,12)
InChIKey SJYDMRYFPWUZSY-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C10H13NO3S
Exact Mass 227.061614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2t4KqhkCjs2
Name 4'-Mesyl-3'-methylacetanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.061614454 u
Formula C10H13NO3S
InChI InChI=1S/C10H13NO3S/c1-7-6-9(11-8(2)12)4-5-10(7)15(3,13)14/h4-6H,1-3H3,(H,11,12)
InChIKey SJYDMRYFPWUZSY-UHFFFAOYSA-N
Molecular Weight 227.278 g/mol
SMILES C1=C(C(=CC(=C1)NC(C)=O)C)S(=O)(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906641