| SpectraBase Spectrum ID |
A5dogBjNdCJ |
| Name |
diethyl 2-(2-(5-cyano-1-methyl-1H-indol-3-yl)-2-p-tolylethyl)-2-methylmalonate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H30N2O4 |
| InChI |
InChI=1S/C27H30N2O4/c1-6-32-25(30)27(4,26(31)33-7-2)15-22(20-11-8-18(3)9-12-20)23-17-29(5)24-13-10-19(16-28)14-21(23)24/h8-14,17,22H,6-7,15H2,1-5H3 |
| InChIKey |
CGBYNJJUKIWQAC-UHFFFAOYSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511624 |
| Molecular Weight |
446.547 g/mol |
| Reported Formula |
C27H30N2O4 |
| SMILES |
C(CC(C(OCC)=O)(C)C(OCC)=O)(C=1C2=C(N(C1)C)C=CC(=C2)C#N)C1=CC=C(C=C1)C |
| SPLASH |
splash10-00di-0090000000-beabef6d0a1146376754 |
| Source of Spectrum |
ACI-55-SM34-40 (DOI: 10.1002/anie.201511624) |
| Wiley ID |
1895446 |
