| SpectraBase Spectrum ID |
GJiclYcunrr |
| Name |
diethyl 2-(2-(1,3-dimethyl-1H-indol-2-yl)-2-(4-methoxyphenyl)ethyl)-2-methylmalonate |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.235873162 u |
| Formula |
C27H33NO5 |
| InChI |
InChI=1S/C27H33NO5/c1-7-32-25(29)27(4,26(30)33-8-2)17-22(19-13-15-20(31-6)16-14-19)24-18(3)21-11-9-10-12-23(21)28(24)5/h9-16,22H,7-8,17H2,1-6H3 |
| InChIKey |
KHZJNDJQUHFCNL-UHFFFAOYSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511624 |
| Molecular Weight |
451.563 g/mol |
| Reported Formula |
C27H33NO5 |
| SMILES |
C(CC(C(OCC)=O)(C)C(OCC)=O)(C1=C(C2=C(N1C)C=CC=C2)C)C1=CC=C(C=C1)OC |
| SPLASH |
splash10-0imi-0090400000-f3a33d291da306583f4c |
| Source of Spectrum |
ACI-55-SM32-35 (DOI: 10.1002/anie.201511624) |
| Wiley ID |
1895441 |
