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ENDO-5-METHYL-2-(PROPAN-2-YL)-CYCLOHEXYL-(2E)-3-[5-[4-(TRIFLUOROMETHYL)-PHENYL]-3-OXA-4-AZATRICYCLO-[5.2.1.0(2,6)]-DEC-4-EN-9-YL]-PROP-2-ENOATE
SpectraBase Compound ID Iqevl2V7KKH
InChI InChI=1S/C28H34F3NO3/c1-15(2)21-10-4-16(3)12-23(21)34-24(33)11-7-18-13-19-14-22(18)27-25(19)26(32-35-27)17-5-8-20(9-6-17)28(29,30)31/h5-9,11,15-16,18-19,21-23,25,27H,4,10,12-14H2,1-3H3/b11-7+/t16-,18+,19+,21+,22-,23-,25-,27-/m1/s1
InChIKey CGCMFINXIKVNRY-PUWUZWMWSA-N
Mol Weight 489.6 g/mol
Molecular Formula C28H34F3NO3
Exact Mass 489.249078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IpPTEf1vsLL
Name ENDO-5-METHYL-2-(PROPAN-2-YL)-CYCLOHEXYL-(2E)-3-[5-[4-(TRIFLUOROMETHYL)-PHENYL]-3-OXA-4-AZATRICYCLO-[5.2.1.0(2,6)]-DEC-4-EN-9-YL]-PROP-2-ENOATE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34F3NO3
InChI InChI=1S/C28H34F3NO3/c1-15(2)21-10-4-16(3)12-23(21)34-24(33)11-7-18-13-19-14-22(18)27-25(19)26(32-35-27)17-5-8-20(9-6-17)28(29,30)31/h5-9,11,15-16,18-19,21-23,25,27H,4,10,12-14H2,1-3H3/b11-7+/t16-,18+,19+,21+,22-,23-,25-,27-/m1/s1
InChIKey CGCMFINXIKVNRY-PUWUZWMWSA-N
Literature Reference Author M.GUCMA,W.M.GOLEBIEWSKI,M.KRAWCZYK
Literature Reference Citation J.BRAZ.CHEM.SOC.,24,805(2013)
Molecular Weight 489.578 g/mol
Source File Reference UWBT5167