| SpectraBase Spectrum ID |
1v58uVeCvUp |
| Name |
diethyl 2-(2-(4-methoxyphenyl)-2-(1-phenyl-1H-pyrrol-2-yl)ethyl)-2-methylmalonate |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.220223097 u |
| Formula |
C27H31NO5 |
| InChI |
InChI=1S/C27H31NO5/c1-5-32-25(29)27(3,26(30)33-6-2)19-23(20-14-16-22(31-4)17-15-20)24-13-10-18-28(24)21-11-8-7-9-12-21/h7-18,23H,5-6,19H2,1-4H3 |
| InChIKey |
VNMYKANBJRKDQM-UHFFFAOYSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511624 |
| Molecular Weight |
449.547 g/mol |
| Reported Formula |
C27H31NO5 |
| SMILES |
C(CC(C(OCC)=O)(C)C(OCC)=O)(C=1N(C=CC1)C1=CC=CC=C1)C1=CC=C(C=C1)OC |
| SPLASH |
splash10-01si-0690000000-125d5f44a1b72fb4f72c |
| Source of Spectrum |
ACI-55-SM35-41 (DOI: 10.1002/anie.201511624) |
| Wiley ID |
1895447 |
