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N-Methyl-mercaptoacetamide, S-pentafluoropropionyl-

View entire compound with spectra: 1 FTIR

N-Methyl-mercaptoacetamide, S-pentafluoropropionyl-
SpectraBase Compound ID 1o9YXHx6SXM
InChI InChI=1S/C6H6F5NO2S/c1-12-3(13)2-15-4(14)5(7,8)6(9,10)11/h2H2,1H3,(H,12,13)
InChIKey CCQILFUVIWORJR-UHFFFAOYSA-N
Mol Weight 251.17 g/mol
Molecular Formula C6H6F5NO2S
Exact Mass 251.00394 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3T4b6mZvqRH
Name N-Methyl-mercaptoacetamide, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.003940424 u
Formula C6H6F5NO2S
InChI InChI=1S/C6H6F5NO2S/c1-12-3(13)2-15-4(14)5(7,8)6(9,10)11/h2H2,1H3,(H,12,13)
InChIKey CCQILFUVIWORJR-UHFFFAOYSA-N
Molecular Weight 251.171 g/mol
SMILES C(SC(C(C(F)(F)F)(F)F)=O)C(NC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867406