| SpectraBase Spectrum ID |
3OUeEkSiQa8 |
| Name |
Dimethyl (E)-2-{4-[4-(methoxycarbonyl)-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 |
436.163436495 u |
| Formula |
C24H24N2O6 |
| InChI |
InChI=1S/C24H24N2O6/c1-30-22(27)17-11-8-12-20-19(17)15-16(26(20)21-13-6-7-14-25-21)9-4-5-10-18(23(28)31-2)24(29)32-3/h4-8,11-15,18H,9-10H2,1-3H3/b5-4+ |
| InChIKey |
KNQQVRPJQGLARS-SNAWJCMRSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701191 |
| Molecular Weight |
436.464 g/mol |
| Quality |
112 |
| Reported Formula |
C24H24N2O6 |
| SMILES |
COC(C(C(=O)OC)C\C=C\CC=1N(C2=C(C1)C(=CC=C2)C(=O)OC)C1=NC=CC=C1)=O |
| SPLASH |
splash10-056r-0093100000-23067e89b3582c9c1ce1 |
| Sample Comments |
E/Z = 7:1 |
| Source of Spectrum |
QE-23-SM11-(E)-3ha (DOI: 10.1002/chem.201701191) |
| Wiley ID |
1905454 |
![Dimethyl (E)-2-{4-[4-(methoxycarbonyl)-1-(pyridin-2-yl)-1H-indol-2-yl] but-2-en-1-yl}malonate](/api/spectrum/3OUeEkSiQa8/structure.png?h=300&w=458 "Dimethyl (E)-2-{4-[4-(methoxycarbonyl)-1-(pyridin-2-yl)-1H-indol-2-yl] but-2-en-1-yl}malonate")
