| SpectraBase Spectrum ID |
CoobnYskKnl |
| Name |
Dimethyl (E)-2-{4-[3-methyl-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 |
392.173607257 u |
| Formula |
C23H24N2O4 |
| InChI |
InChI=1S/C23H24N2O4/c1-16-17-10-4-7-13-20(17)25(21-14-8-9-15-24-21)19(16)12-6-5-11-18(22(26)28-2)23(27)29-3/h4-10,13-15,18H,11-12H2,1-3H3/b6-5+ |
| InChIKey |
BPLKZYLLCLXARG-AATRIKPKSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701191 |
| Molecular Weight |
392.455 g/mol |
| Quality |
106 |
| Reported Formula |
C23H24N2O4 |
| SMILES |
COC(C(C(=O)OC)C\C=C\CC=1N(C2=C(C1C)C=CC=C2)C1=NC=CC=C1)=O |
| SPLASH |
splash10-01x0-0091000000-90c4f31e397d2bee69ec |
| Sample Comments |
E/Z = 5:1 |
| Source of Spectrum |
QE-23-SM14-(E)-3ka (DOI: 10.1002/chem.201701191) |
| Wiley ID |
1905457 |
![(E)-Dimethyl 2-{4-[3-methyl-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate](/api/spectrum/CoobnYskKnl/structure.png?h=300&w=458 "(E)-Dimethyl 2-{4-[3-methyl-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate")
