| SpectraBase Spectrum ID |
CVhVn81MudP |
| Name |
(Z)-Dimethyl 2-{4-[5-iodo-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 |
504.054602160 u |
| Formula |
C22H21IN2O4 |
| InChI |
InChI=1S/C22H21IN2O4/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 |
GGQMKQXQWNBTQE-ARJAWSKDSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201601778 |
| Molecular Weight |
504.324 g/mol |
| Reported Formula |
C22H21IN2O4 |
| SMILES |
C=1(I)C=CC=2N(C=3C=CC=CN3)C(C\C=C/CC(C(=O)OC)C(OC)=O)=CC2C1 |
| SPLASH |
splash10-006t-0019020000-7bc588908c986370cd47 |
| Source of Spectrum |
ACI-55-SM9-(Z)-3ea (DOI: 10.1002/anie.201601778) |
| Wiley ID |
1900943 |
![(Z)-Dimethyl 2-{4-[5-iodo-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate](/api/spectrum/CVhVn81MudP/structure.png?h=300&w=458 "(Z)-Dimethyl 2-{4-[5-iodo-1-(pyridin-2-yl)-1H-indol-2-yl]but-2-en-1-yl}malonate")
