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

*Links on SpectraBase are not permalinks.
(2S,5S)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester
SpectraBase Compound ID I7cJWlSrw0H
InChI InChI=1S/C23H20F3NO6/c1-31-19(28)16-17(20(29)32-2)22(21(30)33-3,14-7-5-4-6-8-14)27-18(16)13-9-11-15(12-10-13)23(24,25)26/h4-12,18,27H,1-3H3/t18-,22-/m0/s1
InChIKey JNKHZCFWRGYYEA-AVRDEDQJSA-N
Mol Weight 463.41 g/mol
Molecular Formula C23H20F3NO6
Exact Mass 463.124272 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 EzCwYiR28Ec
Name (2S,5S)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester
CAS Registry Number 89330-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20F3NO6
InChI InChI=1S/C23H20F3NO6/c1-31-19(28)16-17(20(29)32-2)22(21(30)33-3,14-7-5-4-6-8-14)27-18(16)13-9-11-15(12-10-13)23(24,25)26/h4-12,18,27H,1-3H3/t18-,22-/m0/s1
InChIKey JNKHZCFWRGYYEA-AVRDEDQJSA-N
Molecular Weight 463.409 g/mol
SMILES N1[C@](C(=C([C@]1(C(=O)OC)c1ccccc1)C(=O)OC)C(=O)OC)(c1ccc(C(F)(F)F)cc1)[H]
SPLASH splash10-0uk9-0009400000-814f75638eb465584fad
Source of Spectrum F-46-6478-7
Synonyms (2S,5S)-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester Trimethyl (2S,5S)-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrole-3,4,5-tricarboxylate
Wiley ID 1391287