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

*Links on SpectraBase are not permalinks.
4-(4-Ethoxycarbonylbuta-1,3-dienyl)-1-methyl-2,5-diphenyl-1H-pyrrole-3-carboxylic acid, ethyl ester
SpectraBase Compound ID BHhGWzJx3BD
InChI InChI=1S/C27H27NO4/c1-4-31-23(29)19-13-12-18-22-24(27(30)32-5-2)26(21-16-10-7-11-17-21)28(3)25(22)20-14-8-6-9-15-20/h6-19H,4-5H2,1-3H3/b18-12+,19-13+
InChIKey WMKJIRCWKFNRCY-KLCVKJMQSA-N
Mol Weight 429.52 g/mol
Molecular Formula C27H27NO4
Exact Mass 429.194008 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 3yiLA9sfEO
Name 4-(4-Ethoxycarbonylbuta-1,3-dienyl)-1-methyl-2,5-diphenyl-1H-pyrrole-3-carboxylic acid, ethyl ester
Alternate Name(s) 4-[(1E,3E)-5-ethoxy-5-keto-penta-1,3-dienyl]-1-methyl-2,5-diphenyl-pyrrole-3-carboxylic acid ethyl ester 4-[(1E,3E)-5-ethoxy-5-oxopenta-1,3-dienyl]-1-methyl-2,5-diphenyl-3-pyrrolecarboxylic acid ethyl ester Ethyl 4-[(1E,3E)-5-ethoxy-5-oxidanylidene-penta-1,3-dienyl]-1-methyl-2,5-diphenyl-pyrrole-3-carboxylate Ethyl 4-[(1E,3E)-5-ethoxy-5-oxo-1,3-pentadienyl]-1-methyl-2,5-diphenyl-1H-pyrrole-3-carboxylate Ethyl 4-[(1E,3E)-5-ethoxy-5-oxo-penta-1,3-dienyl]-1-methyl-2,5-diphenyl-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO4
InChI InChI=1S/C27H27NO4/c1-4-31-23(29)19-13-12-18-22-24(27(30)32-5-2)26(21-16-10-7-11-17-21)28(3)25(22)20-14-8-6-9-15-20/h6-19H,4-5H2,1-3H3/b18-12+,19-13+
InChIKey WMKJIRCWKFNRCY-KLCVKJMQSA-N
Molecular Weight 429.516 g/mol
SMILES c1cc(ccc1)-c1c(c(c([n]1C)-c1ccccc1)C(=O)OCC)\C=C\C=C\C(=O)OCC
SPLASH splash10-0560-1398300000-fca5e2b3f26f878084d0
Wiley ID 1475107