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2,2,2-trifluoro-N-(5-{[(4-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)acetamide
SpectraBase Compound ID 1rPok3nDsSy
InChI InChI=1S/C12H9F4N3OS2/c13-8-3-1-7(2-4-8)5-21-6-9-18-19-11(22-9)17-10(20)12(14,15)16/h1-4H,5-6H2,(H,17,19,20)
InChIKey DZOJVUQSUXVRQZ-UHFFFAOYSA-N
Mol Weight 351.34 g/mol
Molecular Formula C12H9F4N3OS2
Exact Mass 351.012317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29UrUgDOdJP
Name 2,2,2-Trifluoro-N-(5-{[(4-fluorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.012316921 u
Formula C12H9F4N3OS2
InChI InChI=1S/C12H9F4N3OS2/c13-8-3-1-7(2-4-8)5-21-6-9-18-19-11(22-9)17-10(20)12(14,15)16/h1-4H,5-6H2,(H,17,19,20)
InChIKey DZOJVUQSUXVRQZ-UHFFFAOYSA-N
Molecular Weight 351.338 g/mol
SMILES N(C=1SC(CSCC=2C=CC(=CC2)F)=NN1)C(C(F)(F)F)=O