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4'-(Propylsulfonyl)acetanilide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4'-(Propylsulfonyl)acetanilide
SpectraBase Compound ID 6SGRNbYRrB7
InChI InChI=1S/C11H15NO3S/c1-3-8-16(14,15)11-6-4-10(5-7-11)12-9(2)13/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKey AYBFZLUDCNJGED-UHFFFAOYSA-N
Mol Weight 241.3 g/mol
Molecular Formula C11H15NO3S
Exact Mass 241.077265 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1pZygYNEuFH
Name 4'-(Propylsulfonyl)acetanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.077264518 u
Formula C11H15NO3S
InChI InChI=1S/C11H15NO3S/c1-3-8-16(14,15)11-6-4-10(5-7-11)12-9(2)13/h4-7H,3,8H2,1-2H3,(H,12,13)
InChIKey AYBFZLUDCNJGED-UHFFFAOYSA-N
Molecular Weight 241.305 g/mol
SMILES N(C1=CC=C(C=C1)S(=O)(=O)CCC)C(C)=O
Spectrum/Structure Validation Score (Raman) 0.860904