| SpectraBase Spectrum ID |
KCiSXkOrt2U |
| Name |
Methyl 2-[(ethoxycarbonyl)amino]-6-oxo-6-phenyl-4-(morpholin-4-yl)-2-(trifluoromethyl)hex-4-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.166471016 u |
| Formula |
C21H25F3N2O6 |
| InChI |
InChI=1S/C21H25F3N2O6/c1-3-32-19(29)25-20(18(28)30-2,21(22,23)24)14-16(26-9-11-31-12-10-26)13-17(27)15-7-5-4-6-8-15/h4-8,13H,3,9-12,14H2,1-2H3,(H,25,29)/b16-13- |
| InChIKey |
FSCTXRNMUQVMHD-SSZFMOIBSA-N |
| Molecular Weight |
458.434 g/mol |
| SMILES |
C(C(C\C(=C\C(C=1C=CC=CC1)=O)N1CCOCC1)(C(F)(F)F)NC(=O)OCC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830477 |
![Methyl 2-[(ethoxycarbonyl)amino]-6-oxo-6-phenyl-4-(morpholin-4-yl)-2-(trifluoromethyl)hex-4-enoate](/api/spectrum/KCiSXkOrt2U/structure.png?h=300&w=458 "Methyl 2-[(ethoxycarbonyl)amino]-6-oxo-6-phenyl-4-(morpholin-4-yl)-2-(trifluoromethyl)hex-4-enoate")
