| SpectraBase Spectrum ID |
4yPK7qdW3U |
| Name |
Dimethyl (E)-2-{4-[1-(5-methylpyridin-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 |
392.173607257 u |
| Formula |
C23H24N2O4 |
| InChI |
InChI=1S/C23H24N2O4/c1-16-12-13-21(24-15-16)25-18(14-17-8-4-7-11-20(17)25)9-5-6-10-19(22(26)28-2)23(27)29-3/h4-8,11-15,19H,9-10H2,1-3H3/b6-5+ |
| InChIKey |
YNKIRVJHBLJXNL-AATRIKPKSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701191 |
| Molecular Weight |
392.455 g/mol |
| Quality |
191 |
| Reported Formula |
C23H24N2O4 |
| SMILES |
COC(C(C(=O)OC)C\C=C\CC=1N(C2=C(C1)C=CC=C2)C1=NC=C(C=C1)C)=O |
| SPLASH |
splash10-01x0-0090000000-5632dc3a4f6172b1b7e7 |
| Sample Comments |
E/Z = 6:1 |
| Source of Spectrum |
QE-23-SM16-(E)-3ma (DOI: 10.1002/chem.201701191) |
| Wiley ID |
1905459 |
![Dimethyl (E)-2-{4-[1-(5-methylpyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl} malonate](/api/spectrum/4yPK7qdW3U/structure.png?h=300&w=458 "Dimethyl (E)-2-{4-[1-(5-methylpyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl} malonate")
