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Ethyl (5-[(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl)acetate

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Ethyl (5-[(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl)acetate
SpectraBase Compound ID 8uAI2PBvD01
InChI InChI=1S/C13H12FN3O3S/c1-2-20-11(18)7-10-16-17-13(21-10)15-12(19)8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,17,19)
InChIKey HTQSOXKOGFDYHH-UHFFFAOYSA-N
Mol Weight 309.32 g/mol
Molecular Formula C13H12FN3O3S
Exact Mass 309.058341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJm3kL59T6E
Name [5-(2-Fluoro-benzoylamino)-[1,3,4]thiadiazol-2-yl]-acetic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.058340592 u
Formula C13H12FN3O3S
InChI InChI=1S/C13H12FN3O3S/c1-2-20-11(18)7-10-16-17-13(21-10)15-12(19)8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,17,19)
InChIKey HTQSOXKOGFDYHH-UHFFFAOYSA-N
Molecular Weight 309.315 g/mol
SMILES C=1(SC(CC(OCC)=O)=NN1)NC(C1=CC=CC=C1F)=O