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benzamide, 3-[(2-ethyl-1-oxobutyl)amino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-
SpectraBase Compound ID CCsRRgtJmte
InChI InChI=1S/C16H17F3N4O2S/c1-3-9(4-2)12(24)20-11-7-5-6-10(8-11)13(25)21-15-23-22-14(26-15)16(17,18)19/h5-9H,3-4H2,1-2H3,(H,20,24)(H,21,23,25)
InChIKey WFBDGRBXZQKXFY-UHFFFAOYSA-N
Mol Weight 386.39 g/mol
Molecular Formula C16H17F3N4O2S
Exact Mass 386.102431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qELJEYtkGC
Name Benzamide, 3-[(2-ethyl-1-oxobutyl)amino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.102431464 u
Formula C16H17F3N4O2S
InChI InChI=1S/C16H17F3N4O2S/c1-3-9(4-2)12(24)20-11-7-5-6-10(8-11)13(25)21-15-23-22-14(26-15)16(17,18)19/h5-9H,3-4H2,1-2H3,(H,20,24)(H,21,23,25)
InChIKey WFBDGRBXZQKXFY-UHFFFAOYSA-N
Molecular Weight 386.393 g/mol
SMILES N(C=1SC(=NN1)C(F)(F)F)C(C=1C=C(NC(=O)C(CC)CC)C=CC1)=O