| SpectraBase Spectrum ID |
9TP6jX2boLY |
| Name |
Dimethyl (E)-2-{4-[5-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/c1-16-11-12-20-17(14-16)15-18(25(20)21-10-6-7-13-24-21)8-4-5-9-19(22(26)28-2)23(27)29-3/h4-7,10-15,19H,8-9H2,1-3H3/b5-4+ |
| InChIKey |
SESNKKKXXIWKQK-SNAWJCMRSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701191 |
| Molecular Weight |
392.455 g/mol |
| Quality |
117 |
| Reported Formula |
C23H24N2O4 |
| SMILES |
COC(C(C(=O)OC)C\C=C\CC=1N(C2=C(C1)C=C(C=C2)C)C1=NC=CC=C1)=O |
| SPLASH |
splash10-01x0-0091000000-11b89559b6f7700110a3 |
| Sample Comments |
E/Z = 4:1 |
| Source of Spectrum |
QE-23-SM6-(E)-3ba (DOI: 10.1002/chem.201701191) |
| Wiley ID |
1905447 |
![Dimethyl (E)-2-{4-[5-methyl-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate](/api/spectrum/9TP6jX2boLY/structure.png?h=300&w=458 "Dimethyl (E)-2-{4-[5-methyl-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate")
