| SpectraBase Spectrum ID |
284ekqHG67L |
| Name |
Dimethyl (E)-2-{4-[4-methoxy-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl} malonate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.168521876 u |
| Formula |
C23H24N2O5 |
| InChI |
InChI=1S/C23H24N2O5/c1-28-20-12-8-11-19-18(20)15-16(25(19)21-13-6-7-14-24-21)9-4-5-10-17(22(26)29-2)23(27)30-3/h4-8,11-15,17H,9-10H2,1-3H3/b5-4+ |
| InChIKey |
PLVSKUNKUSFFBY-SNAWJCMRSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701191 |
| Molecular Weight |
408.454 g/mol |
| Quality |
155 |
| Reported Formula |
C23H24N2O5 |
| SMILES |
COC(C(C(=O)OC)C\C=C\CC=1N(C2=C(C1)C(=CC=C2)OC)C1=NC=CC=C1)=O |
| SPLASH |
splash10-002b-0090100000-f0cb921108fefdb16642 |
| Sample Comments |
E/Z = 9:1 |
| Source of Spectrum |
QE-23-SM12-(E)-3ia (DOI: 10.1002/chem.201701191) |
| Wiley ID |
1905455 |
![Dimethyl (E)-2-{4-[4-methoxy-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl} malonate](/api/spectrum/284ekqHG67L/structure.png?h=300&w=458 "Dimethyl (E)-2-{4-[4-methoxy-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl} malonate")
