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CYCLOPENTYLCARBOXYLIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
SpectraBase Compound ID 1hy59ZPg1r9
InChI InChI=1S/C15H16F3N3O2S/c1-21-11-7-6-10(23-15(16,17)18)8-12(11)24-14(21)20-19-13(22)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,19,22)/b20-14-
InChIKey MLCCJNXNFFPVPC-ZHZULCJRSA-N
Mol Weight 359.37 g/mol
Molecular Formula C15H16F3N3O2S
Exact Mass 359.091532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cgQkNPs7bW
Name CYCLOPENTYLCARBOXYLIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16F3N3O2S
InChI InChI=1S/C15H16F3N3O2S/c1-21-11-7-6-10(23-15(16,17)18)8-12(11)24-14(21)20-19-13(22)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,19,22)/b20-14-
InChIKey MLCCJNXNFFPVPC-ZHZULCJRSA-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 359.366 g/mol
Solvent DMSO-D6
Source File Reference UWMZ45215