| SpectraBase Spectrum ID |
GRj8nT8Mor5 |
| Name |
1-(5-(4-Chlorophenyl)-6-(2-methoxy-2-oxoethyl)-2-phenylpyrimidin-4-yl)-2-methoxy-2-oxoethyl 4-Chlorobenzoate |
| Appearance |
Yellowish amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
564.085491830 u |
| Formula |
C29H22Cl2N2O6 |
| InChI |
InChI=1S/C29H22Cl2N2O6/c1-37-23(34)16-22-24(17-8-12-20(30)13-9-17)25(33-27(32-22)18-6-4-3-5-7-18)26(29(36)38-2)39-28(35)19-10-14-21(31)15-11-19/h3-15,26H,16H2,1-2H3 |
| InChIKey |
KALWNDSAXMXBGZ-UHFFFAOYSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo400090w |
| Molecular Weight |
565.409 g/mol |
| Quality |
45 |
| SMILES |
C1(=C(C(=NC(=N1)C1=CC=CC=C1)C(OC(C1=CC=C(C=C1)Cl)=O)C(=O)OC)C1=CC=C(C=C1)Cl)CC(OC)=O |
| SPLASH |
splash10-002r-0900420000-b73e57aa21d4ea1e7829 |
| Source of Spectrum |
JOC-78-3461-5ba (DOI: 10.1021/jo400090w) |
| Wiley ID |
1912490 |
