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1,3-DIMETHYL-1-(2-(3-FLUOROBENZYLTHIO)-1,3,4-THIADIAZOL-5-YL)-UREA
SpectraBase Compound ID JxJVqNgITq2
InChI InChI=1S/C12H13FN4OS2/c1-14-10(18)17(2)11-15-16-12(20-11)19-7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,14,18)
InChIKey QJYSRYZQXBZESJ-UHFFFAOYSA-N
Mol Weight 312.38 g/mol
Molecular Formula C12H13FN4OS2
Exact Mass 312.051482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LsNW4F4hZY
Name 1,3-DIMETHYL-1-(2-(3-FLUOROBENZYLTHIO)-1,3,4-THIADIAZOL-5-YL)-UREA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13FN4OS2
InChI InChI=1S/C12H13FN4OS2/c1-14-10(18)17(2)11-15-16-12(20-11)19-7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,14,18)
InChIKey QJYSRYZQXBZESJ-UHFFFAOYSA-N
Literature Reference Author A.R.MOORMAN,D.C.FINDAK,H.S.KU
Literature Reference Citation J.HETCYCL.CHEM.,22,915(1985)
Literature Reference DOI 10.1002/jhet.5570220360
Molecular Weight 312.380 g/mol
Solvent DMSO-D6
Source File Reference UWCS1177