| SpectraBase Spectrum ID |
8nau9SXZ2aB |
| Name |
(4-Methoxycarbonylmethoxy-6-oxo-1-phenyl-2-phenylamino-1,6-dihydro-pyrimidin-5-yl)-acetic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.143035402 u |
| Formula |
C22H21N3O6 |
| InChI |
InChI=1S/C22H21N3O6/c1-29-18(26)13-17-20(31-14-19(27)30-2)24-22(23-15-9-5-3-6-10-15)25(21(17)28)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,23,24) |
| InChIKey |
DKCRSGUXPGANCL-UHFFFAOYSA-N |
| Molecular Weight |
423.425 g/mol |
| SMILES |
C=1C=CC(NC=2N(C(C(=C(OCC(=O)OC)N2)CC(=O)OC)=O)C=2C=CC=CC2)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958478 |
