| SpectraBase Spectrum ID |
CDBk8GWzGJ3 |
| Name |
(Z)-Dimethyl 2-{4-[5-bromo-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 |
456.068470160 u |
| Formula |
C22H21BrN2O4 |
| InChI |
InChI=1S/C22H21BrN2O4/c1-28-21(26)18(22(27)29-2)8-4-3-7-17-14-15-13-16(23)10-11-19(15)25(17)20-9-5-6-12-24-20/h3-6,9-14,18H,7-8H2,1-2H3/b4-3- |
| InChIKey |
WNDVXFDRVMKIMQ-ARJAWSKDSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601778 |
| Molecular Weight |
457.324 g/mol |
| Reported Formula |
C22H21BrN2O4 |
| SMILES |
C1(=CC2=C(C=C1)N(C(=C2)C\C=C/CC(C(=O)OC)C(OC)=O)C1=NC=CC=C1)Br |
| SPLASH |
splash10-002b-0094300000-fbd59c289e47f4b37ec0 |
| Source of Spectrum |
ACI-55-SM9-(Z)-3da (DOI: 10.1002/anie.201601778) |
| Wiley ID |
1900942 |
![(Z)-Dimethyl 2-{4-[5-bromo-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate](/api/spectrum/CDBk8GWzGJ3/structure.png?h=300&w=458 "(Z)-Dimethyl 2-{4-[5-bromo-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate")
