| SpectraBase Spectrum ID |
3TWph6ToxKN |
| Name |
Dimethyl (E)-2-{4-[4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-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 |
396.168521876 u |
| Formula |
C22H24N2O5 |
| InChI |
InChI=1S/C22H24N2O5/c1-28-21(26)16(22(27)29-2)9-4-3-8-15-14-17-18(10-7-11-19(17)25)24(15)20-12-5-6-13-23-20/h3-6,12-14,16H,7-11H2,1-2H3/b4-3+ |
| InChIKey |
UOWVXGWXAHSHCR-ONEGZZNKSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701191 |
| Molecular Weight |
396.443 g/mol |
| Quality |
180 |
| Reported Formula |
C22H24N2O5 |
| SMILES |
COC(C(C(=O)OC)C\C=C\CC=1N(C2=C(C1)C(CCC2)=O)C1=NC=CC=C1)=O |
| SPLASH |
splash10-014r-1091000000-4e16d714aeeb00b90ade |
| Sample Comments |
E/Z = 3:1 |
| Source of Spectrum |
QE-23-SM20-(E)-3oa (DOI: 10.1002/chem.201701191) |
| Wiley ID |
1905461 |
![Dimethyl (E)-2-{4-[4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indol-2-yl] but-2-en-1-yl}malonate](/api/spectrum/3TWph6ToxKN/structure.png?h=300&w=458 "Dimethyl (E)-2-{4-[4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indol-2-yl] but-2-en-1-yl}malonate")
