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EXO-1,3-DICYCLOHEXYL-3-(2E)-3-[5-[4-(TRIFLUOROMETHYL)-PHENYL]-3-OXA-4-AZATRICYCLO-[5.2.1.0(2,6)]-DEC-4-EN-9-YL]-PROP-2-ENOYL]-UREA

View entire compound with spectra: 1 NMR

EXO-1,3-DICYCLOHEXYL-3-(2E)-3-[5-[4-(TRIFLUOROMETHYL)-PHENYL]-3-OXA-4-AZATRICYCLO-[5.2.1.0(2,6)]-DEC-4-EN-9-YL]-PROP-2-ENOYL]-UREA
SpectraBase Compound ID 8smFTQh4kNn
InChI InChI=1S/C31H38F3N3O3/c32-31(33,34)22-14-11-19(12-15-22)28-27-21-17-20(25(18-21)29(27)40-36-28)13-16-26(38)37(24-9-5-2-6-10-24)30(39)35-23-7-3-1-4-8-23/h11-16,20-21,23-25,27,29H,1-10,17-18H2,(H,35,39)/b16-13+/t20-,21+,25-,27-,29-/m0/s1
InChIKey AXRKJELWKPQQPS-PKLGGSFVSA-N
Mol Weight 557.7 g/mol
Molecular Formula C31H38F3N3O3
Exact Mass 557.286527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ID8gPi6ssBv
Name EXO-1,3-DICYCLOHEXYL-3-(2E)-3-[5-[4-(TRIFLUOROMETHYL)-PHENYL]-3-OXA-4-AZATRICYCLO-[5.2.1.0(2,6)]-DEC-4-EN-9-YL]-PROP-2-ENOYL]-UREA
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38F3N3O3
InChI InChI=1S/C31H38F3N3O3/c32-31(33,34)22-14-11-19(12-15-22)28-27-21-17-20(25(18-21)29(27)40-36-28)13-16-26(38)37(24-9-5-2-6-10-24)30(39)35-23-7-3-1-4-8-23/h11-16,20-21,23-25,27,29H,1-10,17-18H2,(H,35,39)/b16-13+/t20-,21+,25-,27-,29-/m0/s1
InChIKey AXRKJELWKPQQPS-PKLGGSFVSA-N
Literature Reference Author M.GUCMA,W.M.GOLEBIEWSKI,M.KRAWCZYK
Literature Reference Citation J.BRAZ.CHEM.SOC.,24,805(2013)
Molecular Weight 557.656 g/mol
Source File Reference UWBT5170