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ADAMANTANE-1-CARBOXYLIC_ACID_(4,6-DIFLUORO-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
SpectraBase Compound ID E0C2xZUwYqf
InChI InChI=1S/C19H21F2N3OS/c1-24-16-14(21)5-13(20)6-15(16)26-18(24)23-22-17(25)19-7-10-2-11(8-19)4-12(3-10)9-19/h5-6,10-12H,2-4,7-9H2,1H3,(H,22,25)/b23-18-/t10-,11+,12-,19-
InChIKey SUTBHQRCWJUDAL-YHLBVSNLSA-N
Mol Weight 377.45 g/mol
Molecular Formula C19H21F2N3OS
Exact Mass 377.13734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ptql7G0oni
Name ADAMANTANE-1-CARBOXYLIC_ACID_(4,6-DIFLUORO-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21F2N3OS
InChI InChI=1S/C19H21F2N3OS/c1-24-16-14(21)5-13(20)6-15(16)26-18(24)23-22-17(25)19-7-10-2-11(8-19)4-12(3-10)9-19/h5-6,10-12H,2-4,7-9H2,1H3,(H,22,25)/b23-18-/t10-,11+,12-,19-
InChIKey SUTBHQRCWJUDAL-YHLBVSNLSA-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 377.452 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWMZ45202