| SpectraBase Spectrum ID |
3hPhDghH84E |
| Name |
1-(5-(3-Chlorophenyl)-6-(2-methoxy-2-oxoethyl)-2-phenylpyrimidin-4-yl)-2-methoxy-2-oxoethyl 3-Chlorobenzoate |
| Appearance |
Pale 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(18-10-6-12-20(30)14-18)25(33-27(32-22)17-8-4-3-5-9-17)26(29(36)38-2)39-28(35)19-11-7-13-21(31)15-19/h3-15,26H,16H2,1-2H3 |
| InChIKey |
WDRZYIWXBDYVGQ-UHFFFAOYSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo400090w |
| Molecular Weight |
565.409 g/mol |
| Quality |
83 |
| SMILES |
C1(=C(N=C(N=C1C(OC(C1=CC(=CC=C1)Cl)=O)C(=O)OC)C=1C=CC=CC1)CC(OC)=O)C1=CC(=CC=C1)Cl |
| SPLASH |
splash10-002r-0900220000-373837c7e6a77cada2e3 |
| Source of Spectrum |
JOC-78-3461-5fa (DOI: 10.1021/jo400090w) |
| Wiley ID |
1912494 |
