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3-FLUOROBENZOIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
SpectraBase Compound ID EoCIqta0M8J
InChI InChI=1S/C16H11F4N3O2S/c1-23-12-6-5-11(25-16(18,19)20)8-13(12)26-15(23)22-21-14(24)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,21,24)/b22-15-
InChIKey LLKUTDWMTVLVHZ-JCMHNJIXSA-N
Mol Weight 385.34 g/mol
Molecular Formula C16H11F4N3O2S
Exact Mass 385.05081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JncYX1siqmY
Name 3-FLUOROBENZOIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
Compound Number 6J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11F4N3O2S
InChI InChI=1S/C16H11F4N3O2S/c1-23-12-6-5-11(25-16(18,19)20)8-13(12)26-15(23)22-21-14(24)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,21,24)/b22-15-
InChIKey LLKUTDWMTVLVHZ-JCMHNJIXSA-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 385.336 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWMZ45223