| SpectraBase Spectrum ID |
UeCJLapZt2 |
| Name |
1-(2-(4-Chlorophenyl)-6-(2-methoxy-2-oxoethyl)-5-phenylpyrimidin-4-yl)-2-methoxy-2-oxoethyl Benzoate |
| Appearance |
Pale yellowish amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.124464163 u |
| Formula |
C29H23ClN2O6 |
| InChI |
InChI=1S/C29H23ClN2O6/c1-36-23(33)17-22-24(18-9-5-3-6-10-18)25(32-27(31-22)19-13-15-21(30)16-14-19)26(29(35)37-2)38-28(34)20-11-7-4-8-12-20/h3-16,26H,17H2,1-2H3 |
| InChIKey |
CNSNRZHUVXUEQO-UHFFFAOYSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo400090w |
| Molecular Weight |
530.964 g/mol |
| Quality |
29 |
| SMILES |
C1(=C(N=C(N=C1C(OC(C1=CC=CC=C1)=O)C(=O)OC)C=1C=CC(=CC1)Cl)CC(OC)=O)C1=CC=CC=C1 |
| SPLASH |
splash10-0a6r-2900100000-47927bf2b83cdd3e7007 |
| Source of Spectrum |
JOC-78-3461-5ac (DOI: 10.1021/jo400090w) |
| Wiley ID |
1912487 |
