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ADAMANTANE-1-CARBOXYLIC_ACID_(7-FLUORO-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
SpectraBase Compound ID 7b1kYyZHqxS
InChI InChI=1S/C19H22FN3OS/c1-23-15-4-2-3-14(20)16(15)25-18(23)22-21-17(24)19-8-11-5-12(9-19)7-13(6-11)10-19/h2-4,11-13H,5-10H2,1H3,(H,21,24)/b22-18-/t11-,12+,13-,19-
InChIKey HTDUFDSGCMAMNR-JTPDSZJFSA-N
Mol Weight 359.46 g/mol
Molecular Formula C19H22FN3OS
Exact Mass 359.146762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mPdn8rPrS3
Name ADAMANTANE-1-CARBOXYLIC_ACID_(7-FLUORO-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22FN3OS
InChI InChI=1S/C19H22FN3OS/c1-23-15-4-2-3-14(20)16(15)25-18(23)22-21-17(24)19-8-11-5-12(9-19)7-13(6-11)10-19/h2-4,11-13H,5-10H2,1H3,(H,21,24)/b22-18-/t11-,12+,13-,19-
InChIKey HTDUFDSGCMAMNR-JTPDSZJFSA-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 359.462 g/mol
Solvent DMSO-D6
Source File Reference UWMZ45207