| SpectraBase Spectrum ID |
I6fnWCnFcOt |
| Name |
Diethyl (E)-3-benzoyl-4-(4-nitrostyryl)cyclopent-3-ene-1,1-dicarboxylate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.163102142 u |
| Formula |
C26H25NO7 |
| InChI |
InChI=1S/C26H25NO7/c1-3-33-24(29)26(25(30)34-4-2)16-20(13-10-18-11-14-21(15-12-18)27(31)32)22(17-26)23(28)19-8-6-5-7-9-19/h5-15H,3-4,16-17H2,1-2H3/b13-10+ |
| InChIKey |
MTBMIJHFLKNQHF-JLHYYAGUSA-N |
| Instrument Name |
Finnigan SSQ or 7000 Thermo Deca XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503293 |
| Molecular Weight |
463.486 g/mol |
| Quality |
88 |
| Reported Formula |
C26H25NO7 |
| SMILES |
C(C)OC(=O)C1(CC(=C(C1)\C=C\C1=CC=C(C=C1)[N+](=O)[O-])C(C1=CC=CC=C1)=O)C(=O)OCC |
| SPLASH |
splash10-0a4i-1902200000-4f58a9c2f444f33c1016 |
| Sample Comments |
E/Z = 99:1 |
| Source of Spectrum |
QE-21-SM17-6e (DOI: 10.1002/chem.201503293) |
| Wiley ID |
1907286 |
