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ADAMANTANE-1-CARBOXYLIC_ACID_(5-TRIFLUOROMETHYL-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE-2-(METHYLTHIO)-BENZOTHIAZOLE

View entire compound with spectra: 1 NMR

ADAMANTANE-1-CARBOXYLIC_ACID_(5-TRIFLUOROMETHYL-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE-2-(METHYLTHIO)-BENZOTHIAZOLE
SpectraBase Compound ID JMkCE55vOav
InChI InChI=1S/C20H22F3N3OS/c1-26-15-7-14(20(21,22)23)2-3-16(15)28-18(26)25-24-17(27)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,24,27)/b25-18-/t11-,12+,13-,19-
InChIKey KWTAKRCXVXLHJI-DKRMDUAVSA-N
Mol Weight 409.47 g/mol
Molecular Formula C20H22F3N3OS
Exact Mass 409.143568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tZtuoOJ4hG
Name ADAMANTANE-1-CARBOXYLIC_ACID_(5-TRIFLUOROMETHYL-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE-2-(METHYLTHIO)-BENZOTHIAZOLE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22F3N3OS
InChI InChI=1S/C20H22F3N3OS/c1-26-15-7-14(20(21,22)23)2-3-16(15)28-18(26)25-24-17(27)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,24,27)/b25-18-/t11-,12+,13-,19-
InChIKey KWTAKRCXVXLHJI-DKRMDUAVSA-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 409.469 g/mol
Solvent DMSO-D6
Source File Reference UWMZ45203