| SpectraBase Spectrum ID |
8OFFrag4Kfk |
| Name |
2-Methoxy-1-(6-(2-methoxy-2-oxoethyl)-2-(3-nitrophenyl)-5-phenylpyrimidin-4-yl)-2-oxoethyl Benzoate |
| Appearance |
Pale yellowish amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
541.148514705 u |
| Formula |
C29H23N3O8 |
| InChI |
InChI=1S/C29H23N3O8/c1-38-23(33)17-22-24(18-10-5-3-6-11-18)25(31-27(30-22)20-14-9-15-21(16-20)32(36)37)26(29(35)39-2)40-28(34)19-12-7-4-8-13-19/h3-16,26H,17H2,1-2H3 |
| InChIKey |
LUFXBIWRHKGNOL-UHFFFAOYSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo400090w |
| Molecular Weight |
541.516 g/mol |
| Quality |
65 |
| SMILES |
C1(=C(N=C(N=C1C(OC(C1=CC=CC=C1)=O)C(=O)OC)C=1C=CC=C(C1)[N+]([O-])=O)CC(OC)=O)C1=CC=CC=C1 |
| SPLASH |
splash10-0a4i-1900100000-1c41586d761b1ab6b1b2 |
| Source of Spectrum |
JOC-78-3461-5ab (DOI: 10.1021/jo400090w) |
| Wiley ID |
1912486 |
