| SpectraBase Spectrum ID |
2n6FOUxALia |
| Name |
Dibenzyl 2-{ 4'-( 5''-chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-pentanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
603.177228011 u |
| Formula |
C32H30ClN3O7 |
| InChI |
InChI=1S/C32H30ClN3O7/c33-27-17-34-32(40)36(18-27)22-41-19-25-11-13-26(14-12-25)30(38)35-28(31(39)43-21-24-9-5-2-6-10-24)15-16-29(37)42-20-23-7-3-1-4-8-23/h1-14,17-18,28H,15-16,19-22H2,(H,35,38) |
| InChIKey |
XJOKDXSCVOAEPQ-UHFFFAOYSA-N |
| Molecular Weight |
604.059 g/mol |
| SMILES |
C1(N(C=C(C=N1)Cl)COCC1=CC=C(C(NC(C(OCC2=CC=CC=C2)=O)CCC(=O)OCC2=CC=CC=C2)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904731 |
![Dibenzyl 2-{ 4'-( 5''-chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-pentanedioate](/api/spectrum/2n6FOUxALia/structure.png?h=300&w=458 "Dibenzyl 2-{ 4'-( 5''-chloro-2''-oxo-1'',2''-dihydropyrimidin-1''-yl)methoxymethyl]benzamido}-3-pentanedioate")
