![EXO-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](/api/spectrum/9fNsqPg0BSD/structure.png?h=300&w=458 "EXO-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 | 1VdFY7lHVa |
|---|---|
| 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-INNLCZKFSA-N |
| Mol Weight | 489.6 g/mol |
| Molecular Formula | C28H34F3NO3 |
| Exact Mass | 489.249078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9fNsqPg0BSD |
|---|---|
| Name | EXO-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 | 9B |
| 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-INNLCZKFSA-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 | UWBT5168 |