![2,2,2-trifluoroethyl 2-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylate](/api/spectrum/8csMCtuRmFd/structure.png?h=300&w=458 "2,2,2-trifluoroethyl 2-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylate")
| SpectraBase Compound ID | 7lQBmvfAvMe |
|---|---|
| InChI | InChI=1S/C28H31F3N2O4/c1-18-21(24-15-20(11-12-25(24)33-18)36-16-19-7-3-2-4-8-19)13-14-32-26(34)22-9-5-6-10-23(22)27(35)37-17-28(29,30)31/h2-4,7-8,11-12,15,22-23,33H,5-6,9-10,13-14,16-17H2,1H3,(H,32,34) |
| InChIKey | FKNOVOHFSNGYLP-UHFFFAOYSA-N |
| Mol Weight | 516.56 g/mol |
| Molecular Formula | C28H31F3N2O4 |
| Exact Mass | 516.223592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8csMCtuRmFd |
|---|---|
| Name | 2,2,2-Trifluoroethyl 2-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 516.223591971 u |
| Formula | C28H31F3N2O4 |
| InChI | InChI=1S/C28H31F3N2O4/c1-18-21(24-15-20(11-12-25(24)33-18)36-16-19-7-3-2-4-8-19)13-14-32-26(34)22-9-5-6-10-23(22)27(35)37-17-28(29,30)31/h2-4,7-8,11-12,15,22-23,33H,5-6,9-10,13-14,16-17H2,1H3,(H,32,34) |
| InChIKey | FKNOVOHFSNGYLP-UHFFFAOYSA-N |
| Molecular Weight | 516.561 g/mol |
| SMILES | C1(C(CCCC1)C(NCCC=1C2=C(NC1C)C=CC(=C2)OCC=1C=CC=CC1)=O)C(OCC(F)(F)F)=O |