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ISOPROPYL_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
SpectraBase Compound ID Cxc77q5sIg8
InChI InChI=1S/C13H14F3N3O3S/c1-7(2)21-12(20)18-17-11-19(3)9-5-4-8(6-10(9)23-11)22-13(14,15)16/h4-7H,1-3H3,(H,18,20)/b17-11-
InChIKey ONWOFJCPRAZRKC-BOPFTXTBSA-N
Mol Weight 349.33 g/mol
Molecular Formula C13H14F3N3O3S
Exact Mass 349.070797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgYtky9PP0x
Name ISOPROPYL_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
Compound Number 6O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14F3N3O3S
InChI InChI=1S/C13H14F3N3O3S/c1-7(2)21-12(20)18-17-11-19(3)9-5-4-8(6-10(9)23-11)22-13(14,15)16/h4-7H,1-3H3,(H,18,20)/b17-11-
InChIKey ONWOFJCPRAZRKC-BOPFTXTBSA-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 349.328 g/mol
Solvent CDCl3
Source File Reference UWMZ45228