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N-Methyl-mercaptoacetamide, S-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

N-Methyl-mercaptoacetamide, S-heptafluorobutyryl-
SpectraBase Compound ID 5o5X4LibLgF
InChI InChI=1S/C7H6F7NO2S/c1-15-3(16)2-18-4(17)5(8,9)6(10,11)7(12,13)14/h2H2,1H3,(H,15,16)
InChIKey GPSGYGOGQPHTHN-UHFFFAOYSA-N
Mol Weight 301.18 g/mol
Molecular Formula C7H6F7NO2S
Exact Mass 301.000747 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IdDVtswk6q2
Name N-Methyl-mercaptoacetamide, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.000746750 u
Formula C7H6F7NO2S
InChI InChI=1S/C7H6F7NO2S/c1-15-3(16)2-18-4(17)5(8,9)6(10,11)7(12,13)14/h2H2,1H3,(H,15,16)
InChIKey GPSGYGOGQPHTHN-UHFFFAOYSA-N
Molecular Weight 301.179 g/mol
SMILES C(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(NC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942642