| SpectraBase Spectrum ID |
G76Ud1FHzNc |
| Name |
Acetamide, N-(1-benzyl-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-D]pyrimidin-5-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.088889400 u |
| Formula |
C16H13F3N4O4 |
| InChI |
InChI=1S/C16H13F3N4O4/c1-8(24)22-15(16(17,18)19)10-11(20-13(15)26)23(14(27)21-12(10)25)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,20,26)(H,22,24)(H,21,25,27) |
| InChIKey |
VEMPXYFXAWMKDL-UHFFFAOYSA-N |
| Molecular Weight |
382.299 g/mol |
| SMILES |
C1=2C(C(=O)NC2N(C(NC1=O)=O)CC1=CC=CC=C1)(C(F)(F)F)NC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913314 |
![Acetamide, N-(1-benzyl-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-](/api/spectrum/G76Ud1FHzNc/structure.png?h=300&w=458 "Acetamide, N-(1-benzyl-2,4,6-trioxo-5-trifluoromethyl-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-")
