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3-ETHOXYCARBONYL-2,2-BIS-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-PYRIMIDO-[2.1-B]-BENZTHIAZOLE
SpectraBase Compound ID HlXzsMgml3T
InChI InChI=1S/C15H12F6N2O2S/c1-2-25-11(24)8-7-23-9-5-3-4-6-10(9)26-12(23)22-13(8,14(16,17)18)15(19,20)21/h3-6,8H,2,7H2,1H3
InChIKey JGNSSRBPJGDOJW-UHFFFAOYSA-N
Mol Weight 398.32 g/mol
Molecular Formula C15H12F6N2O2S
Exact Mass 398.052368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2nPuzBK81X4
Name 3-ETHOXYCARBONYL-2,2-BIS-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-PYRIMIDO-[2.1-B]-BENZTHIAZOLE
Compound Number 30E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12F6N2O2S
InChI InChI=1S/C15H12F6N2O2S/c1-2-25-11(24)8-7-23-9-5-3-4-6-10(9)26-12(23)22-13(8,14(16,17)18)15(19,20)21/h3-6,8H,2,7H2,1H3
InChIKey JGNSSRBPJGDOJW-UHFFFAOYSA-N
Literature Reference Author J.CYRENER,K.BURGER
Literature Reference Citation MH.CHEM.,126,319(1995)
Literature Reference DOI 10.1007/BF00816101
Molecular Weight 398.323 g/mol
Solvent CDCl3
Source File Reference UWMK51