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2,2-DIMETHYLPROPANOIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
SpectraBase Compound ID 8dqvWlwAwxN
InChI InChI=1S/C14H16F3N3O2S/c1-13(2,3)11(21)18-19-12-20(4)9-6-5-8(7-10(9)23-12)22-14(15,16)17/h5-7H,1-4H3,(H,18,21)/b19-12-
InChIKey GFBKUENDJAGBBX-UNOMPAQXSA-N
Mol Weight 347.36 g/mol
Molecular Formula C14H16F3N3O2S
Exact Mass 347.091532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVoV6KzQFQZ
Name 2,2-DIMETHYLPROPANOIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16F3N3O2S
InChI InChI=1S/C14H16F3N3O2S/c1-13(2,3)11(21)18-19-12-20(4)9-6-5-8(7-10(9)23-12)22-14(15,16)17/h5-7H,1-4H3,(H,18,21)/b19-12-
InChIKey GFBKUENDJAGBBX-UNOMPAQXSA-N
Literature Reference Author P.C.FRITCH,G.MCNAUGHTON-SMITH,G.S.AMATO,J.F.BURNS,C.W.EARGLE ,R.ROELOFFS,W.HARRIS
Literature Reference Citation J.MED.CHEM.,53,887(2010)
Literature Reference DOI 10.1021/jm901497b
Molecular Weight 347.355 g/mol
Solvent CDCl3
Source File Reference UWMZ45216