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4-[2-(4-METHYLPHENYL)-4-TRIFLUOROMETHYL-5-THIAZOLYL]-5-MORPHOLIN0-2,3,4-TRIAZABICYCLO-[3.3.0]-OCT-2-ENE
SpectraBase Compound ID HwqSD47PBFp
InChI InChI=1S/C20H22F3N5OS/c1-13-4-6-14(7-5-13)17-24-16(20(21,22)23)18(30-17)28-19(27-9-11-29-12-10-27)8-2-3-15(19)25-26-28/h4-7,15H,2-3,8-12H2,1H3
InChIKey LAOHRLSSBRGAID-UHFFFAOYSA-N
Mol Weight 437.49 g/mol
Molecular Formula C20H22F3N5OS
Exact Mass 437.149716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SSebIMZ3oE
Name 4-[2-(4-METHYLPHENYL)-4-TRIFLUOROMETHYL-5-THIAZOLYL]-5-MORPHOLIN0-2,3,4-TRIAZABICYCLO-[3.3.0]-OCT-2-ENE
Compound Number 11
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22F3N5OS
InChI InChI=1S/C20H22F3N5OS/c1-13-4-6-14(7-5-13)17-24-16(20(21,22)23)18(30-17)28-19(27-9-11-29-12-10-27)8-2-3-15(19)25-26-28/h4-7,15H,2-3,8-12H2,1H3
InChIKey LAOHRLSSBRGAID-UHFFFAOYSA-N
Literature Reference Author K.BURGER,E.HOESS,N.SEWALD,K.GEITH,J.RIEDE,P.BISSINGER
Literature Reference Citation Z.NATURFORSCH.,45B,1695(1990)
Molecular Weight 437.483 g/mol
Solvent ACETONE-D6
Source File Reference UWCS13139