| SpectraBase Spectrum ID |
7H4LwbhOS0Z |
| Name |
diethyl 2-(2-(1,5-dimethyl-1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl)-2-methylmalonate |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2024 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)16-22(19-10-12-20(31-6)13-11-19)23-17-28(5)24-14-9-18(3)15-21(23)24/h9-15,17,22H,7-8,16H2,1-6H3 |
| InChIKey |
NGOZZHKAFVVFMQ-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=CN(C2=C1C=C(C=C2)C)C)C1=CC=C(C=C1)OC |
| SPLASH |
splash10-03fr-0090000000-f902bcd6173a5906c2d6 |
| Source of Spectrum |
ACI-55-SM27-26 (DOI: 10.1002/anie.201511624) |
| Wiley ID |
1895438 |
