| SpectraBase Spectrum ID |
3yQ2CIvkQWi |
| Name |
Dimethyl (E)-2-{4-[1-(pyridin-2-yl)-1H-pyrrol-2-yl]but-2-en-1-yl}malonate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.142307128 u |
| Formula |
C18H20N2O4 |
| InChI |
InChI=1S/C18H20N2O4/c1-23-17(21)15(18(22)24-2)10-4-3-8-14-9-7-13-20(14)16-11-5-6-12-19-16/h3-7,9,11-13,15H,8,10H2,1-2H3/b4-3+ |
| InChIKey |
LYVMACOFBYHOFF-ONEGZZNKSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701191 |
| Molecular Weight |
328.368 g/mol |
| Quality |
174 |
| Reported Formula |
C18H20N2O4 |
| SMILES |
COC(C(C(=O)OC)C\C=C\CC=1N(C=CC1)C1=NC=CC=C1)=O |
| SPLASH |
splash10-014j-2931000000-e40174d6d87e58bcba65 |
| Sample Comments |
E/Z = 7:1 |
| Source of Spectrum |
QE-23-SM17-(E)-3na (DOI: 10.1002/chem.201701191) |
| Wiley ID |
1905460 |
![Dimethyl (E)-2-{4-[1-(pyridin-2-yl)-1H-pyrrol-2-yl]but-2-en-1-yl}malonate](/api/spectrum/3yQ2CIvkQWi/structure.png?h=300&w=458 "Dimethyl (E)-2-{4-[1-(pyridin-2-yl)-1H-pyrrol-2-yl]but-2-en-1-yl}malonate")
