| SpectraBase Spectrum ID |
C0QRRn6tpAM |
| Name |
diethyl 2-(2-(1,2-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)17-22(19-13-15-20(31-6)16-14-19)24-18(3)28(5)23-12-10-9-11-21(23)24/h9-16,22H,7-8,17H2,1-6H3 |
| InChIKey |
BCSGRNCZGYOJPR-UHFFFAOYSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511624 |
| Molecular Weight |
451.563 g/mol |
| Quality |
14 |
| Reported Formula |
C27H33NO5 |
| SMILES |
C(CC(C(OCC)=O)(C)C(OCC)=O)(C1=C(N(C2=C1C=CC=C2)C)C)C1=CC=C(C=C1)OC |
| SPLASH |
splash10-03di-0290100000-c693da2d5bdcbe9188bb |
| Source of Spectrum |
ACI-55-SM30-31 (DOI: 10.1002/anie.201511624) |
| Wiley ID |
1895440 |
