| SpectraBase Spectrum ID |
36VOV1CAzoF |
| Name |
3-(Carbethoxyamino)-1-(4-fluorophenyl)-2-keto-5-phenyl-4-imidazoline-4-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.138698914 u |
| Formula |
C21H20FN3O5 |
| InChI |
InChI=1S/C21H20FN3O5/c1-3-29-19(26)18-17(14-8-6-5-7-9-14)24(16-12-10-15(22)11-13-16)21(28)25(18)23-20(27)30-4-2/h5-13H,3-4H2,1-2H3,(H,23,27) |
| InChIKey |
UTFAWAXOOPMSKP-UHFFFAOYSA-N |
| Molecular Weight |
413.405 g/mol |
| SMILES |
C=1(N(C(=O)N(C1C=1C=CC=CC1)C=1C=CC(=CC1)F)NC(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930266 |
