| SpectraBase Spectrum ID |
FqQYVbVm8hj |
| Name |
(E)-benzyl 3-(5-cyano-1-(pyrimidin-2-yl)-1H-indol-2-yl)pent-3-enoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.158625898 u |
| Formula |
C25H20N4O2 |
| InChI |
InChI=1S/C25H20N4O2/c1-2-20(15-24(30)31-17-18-7-4-3-5-8-18)23-14-21-13-19(16-26)9-10-22(21)29(23)25-27-11-6-12-28-25/h2-14H,15,17H2,1H3/b20-2+ |
| InChIKey |
XUOPUANSXBMIFW-QFOIDUMCSA-N |
| Instrument Name |
Finnigan MAT SSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201704682 |
| Molecular Weight |
408.461 g/mol |
| Reported Formula |
C25H20N4O2 |
| SMILES |
C1(=CC=CC=C1)COC(C\C(=C/C)C=1N(C2=C(C1)C=C(C=C2)C#N)C1=NC=CC=N1)=O |
| SPLASH |
splash10-0abc-0078900000-a27e2e92e5bef8a0aee9 |
| Source of Spectrum |
ACI-56-SM8-3j (DOI: 10.1002/anie.201704682) |
| Wiley ID |
1896238 |
