| SpectraBase Spectrum ID |
3FpyrBZ3lxS |
| Name |
Diethyl 3-benzoyl-4-((1E,3E)-4-phenylbuta-1,3-dien-1-yl)cyclopent-3-ene-1,1-dicarboxylate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.193673997 u |
| Formula |
C28H28O5 |
| InChI |
InChI=1S/C28H28O5/c1-3-32-26(30)28(27(31)33-4-2)19-23(18-12-11-15-21-13-7-5-8-14-21)24(20-28)25(29)22-16-9-6-10-17-22/h5-18H,3-4,19-20H2,1-2H3/b15-11+,18-12+ |
| InChIKey |
HWASRZXOHDWBEV-KFGDLTOCSA-N |
| Instrument Name |
Finnigan SSQ or 7000 Thermo Deca XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503293 |
| Molecular Weight |
444.527 g/mol |
| Quality |
60 |
| Reported Formula |
C28H28O5 |
| SMILES |
C(C)OC(=O)C1(CC(=C(C1)\C=C\C=C\C1=CC=CC=C1)C(C1=CC=CC=C1)=O)C(=O)OCC |
| SPLASH |
splash10-0a6r-7900000000-abe002e3f6ba299e8e82 |
| Sample Comments |
E/Z = 99:1 |
| Source of Spectrum |
QE-21-SM20-6g (DOI: 10.1002/chem.201503293) |
| Wiley ID |
1907288 |
