| SpectraBase Spectrum ID |
85yH5mSTRnl |
| Name |
Diethyl (E)-2-{4-[1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.189257321 u |
| Formula |
C24H26N2O4 |
| InChI |
InChI=1S/C24H26N2O4/c1-3-29-23(27)20(24(28)30-4-2)13-7-6-12-19-17-18-11-5-8-14-21(18)26(19)22-15-9-10-16-25-22/h5-11,14-17,20H,3-4,12-13H2,1-2H3/b7-6+ |
| InChIKey |
QSSLOIASYDODFC-VOTSOKGWSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701191 |
| Molecular Weight |
406.482 g/mol |
| Quality |
176 |
| Reported Formula |
C24H26N2O4 |
| SMILES |
C(C)OC(C(C(=O)OCC)C\C=C\CC=1N(C2=C(C1)C=CC=C2)C1=NC=CC=C1)=O |
| SPLASH |
splash10-066s-1190000000-32e59863fcae93749ab2 |
| Sample Comments |
E/Z = 8:1 |
| Source of Spectrum |
QE-23-SM17-(E)-3ab (DOI: 10.1002/chem.201701191) |
| Wiley ID |
1905445 |
![Diethyl (E)-2-{4-[1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate](/api/spectrum/85yH5mSTRnl/structure.png?h=300&w=458 "Diethyl (E)-2-{4-[1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate")
