| SpectraBase Spectrum ID |
J6NG5STrYML |
| Name |
(E)-Dimethyl 2-{4-[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 |
378.157957192 u |
| Formula |
C22H22N2O4 |
| InChI |
InChI=1S/C22H22N2O4/c1-27-21(25)18(22(26)28-2)11-5-4-10-17-15-16-9-3-6-12-19(16)24(17)20-13-7-8-14-23-20/h3-9,12-15,18H,10-11H2,1-2H3/b5-4+ |
| InChIKey |
ZXSKQFGRRCZRDC-SNAWJCMRSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601778 |
| Molecular Weight |
378.428 g/mol |
| Reported Formula |
C22H22N2O4 |
| SMILES |
C1=CC2=C(C=C1)N(C(=C2)C\C=C\CC(C(OC)=O)C(=O)OC)C1=NC=CC=C1 |
| SPLASH |
splash10-05mk-0091000000-a2c591bbda0ead493b68 |
| Source of Spectrum |
ACI-55-SM6-(E)-3aa (DOI: 10.1002/anie.201601778) |
| Wiley ID |
1900936 |
![(E)-Dimethyl 2-{4-[1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate](/api/spectrum/J6NG5STrYML/structure.png?h=300&w=458 "(E)-Dimethyl 2-{4-[1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate")
