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N-(3,4,5-Trimethoxyphenyl)-3,5-difluorobenzothioamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-(3,4,5-Trimethoxyphenyl)-3,5-difluorobenzothioamide
SpectraBase Compound ID edJxYVuopF
InChI InChI=1S/C16H15F2NO3S/c1-20-13-7-12(8-14(21-2)15(13)22-3)19-16(23)9-4-10(17)6-11(18)5-9/h4-8H,1-3H3,(H,19,23)
InChIKey ZMDHOFZGARFHCK-UHFFFAOYSA-N
Mol Weight 339.36 g/mol
Molecular Formula C16H15F2NO3S
Exact Mass 339.074071 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 65yQMqNf1Pc
Name N-(3,4,5-Trimethoxyphenyl)-3,5-difluorobenzothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.074070844 u
Formula C16H15F2NO3S
InChI InChI=1S/C16H15F2NO3S/c1-20-13-7-12(8-14(21-2)15(13)22-3)19-16(23)9-4-10(17)6-11(18)5-9/h4-8H,1-3H3,(H,19,23)
InChIKey ZMDHOFZGARFHCK-UHFFFAOYSA-N
Molecular Weight 339.357 g/mol
SMILES C(C=1C=C(F)C=C(C1)F)(NC=1C=C(OC)C(=C(C1)OC)OC)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953648