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

*Links on SpectraBase are not permalinks.
(2R,5S)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-3-pyrroline-2,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 1TuWCCaVwuR
InChI InChI=1S/C21H18F3NO4/c1-28-18(26)16-12-20(19(27)29-2,14-6-4-3-5-7-14)25-17(16)13-8-10-15(11-9-13)21(22,23)24/h3-12,17,25H,1-2H3/t17-,20+/m0/s1
InChIKey CTHKNGQOWCHOAO-FXAWDEMLSA-N
Mol Weight 405.37 g/mol
Molecular Formula C21H18F3NO4
Exact Mass 405.118793 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 5iPllTh0C30
Name (2R,5S)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-3-pyrroline-2,4-dicarboxylic acid dimethyl ester
CAS Registry Number 131786-08-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F3NO4
InChI InChI=1S/C21H18F3NO4/c1-28-18(26)16-12-20(19(27)29-2,14-6-4-3-5-7-14)25-17(16)13-8-10-15(11-9-13)21(22,23)24/h3-12,17,25H,1-2H3/t17-,20+/m0/s1
InChIKey CTHKNGQOWCHOAO-FXAWDEMLSA-N
Molecular Weight 405.373 g/mol
SMILES N1[C@@](C=C([C@@]1(c1ccc(C(F)(F)F)cc1)[H])C(=O)OC)(C(=O)OC)c1ccccc1
SPLASH splash10-00kk-0039000000-5e6a312a281b1acfb02c
Source of Spectrum F-46-6475-4
Synonyms (2S,5R)-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrole-3,5-dicarboxylic acid dimethyl ester Dimethyl (2S,5R)-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrole-3,5-dicarboxylate
Wiley ID 1371712