For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[2-(1H-indol-3-yl)ethyl]-4-phenyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID Ag944rqZSyP
InChI InChI=1S/C27H28N2O4/c1-3-32-26(30)22-17-29(15-14-20-16-28-24-13-9-8-12-21(20)24)18-23(27(31)33-4-2)25(22)19-10-6-5-7-11-19/h5-13,16-18,25,28H,3-4,14-15H2,1-2H3
InChIKey RHFXFHZLFSMUCS-UHFFFAOYSA-N
Mol Weight 444.53 g/mol
Molecular Formula C27H28N2O4
Exact Mass 444.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H9M28p2raGI
Name 1-[2-(1H-indol-3-yl)ethyl]-4-phenyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester
CAS Registry Number 101225-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N2O4
InChI InChI=1S/C27H28N2O4/c1-3-32-26(30)22-17-29(15-14-20-16-28-24-13-9-8-12-21(20)24)18-23(27(31)33-4-2)25(22)19-10-6-5-7-11-19/h5-13,16-18,25,28H,3-4,14-15H2,1-2H3
InChIKey RHFXFHZLFSMUCS-UHFFFAOYSA-N
Molecular Weight 444.531 g/mol
SMILES [nH]1c2c(c(c1)CCN1C=C(C(C(=C1)C(=O)OCC)c1ccccc1)C(=O)OCC)cccc2
SPLASH splash10-0006-0903300000-1c528c18d86f8d28ed88
Source of Spectrum J-51-1168-5
Synonyms Diethyl 1-[2-(1H-indol-3-yl)ethyl]-4-phenyl-4H-pyridine-3,5-dicarboxylate
Wiley ID 1386089