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BENZOIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
SpectraBase Compound ID F5gUc5fuKHs
InChI InChI=1S/C16H12F3N3O2S/c1-22-12-8-7-11(24-16(17,18)19)9-13(12)25-15(22)21-20-14(23)10-5-3-2-4-6-10/h2-9H,1H3,(H,20,23)/b21-15-
InChIKey XINRDUUAYVAABO-QNGOZBTKSA-N
Mol Weight 367.35 g/mol
Molecular Formula C16H12F3N3O2S
Exact Mass 367.060232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOHEnqUeuSZ
Name BENZOIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
Compound Number 6L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12F3N3O2S
InChI InChI=1S/C16H12F3N3O2S/c1-22-12-8-7-11(24-16(17,18)19)9-13(12)25-15(22)21-20-14(23)10-5-3-2-4-6-10/h2-9H,1H3,(H,20,23)/b21-15-
InChIKey XINRDUUAYVAABO-QNGOZBTKSA-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 367.345 g/mol
Solvent DMSO-D6
Source File Reference UWMZ45225