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2-{4,4-Dimethyl-2-[2-oxo-2-(4-trifluormethyl-phenyl)-ethylidene]-pyrrolidin-1-yl}-propionic acid
SpectraBase Compound ID 3qziW7E7eUC
InChI InChI=1S/C18H20F3NO3/c1-11(16(24)25)22-10-17(2,3)9-14(22)8-15(23)12-4-6-13(7-5-12)18(19,20)21/h4-8,11H,9-10H2,1-3H3,(H,24,25)/b14-8+
InChIKey XSKFWRKGNGDJAS-RIYZIHGNSA-N
Mol Weight 355.36 g/mol
Molecular Formula C18H20F3NO3
Exact Mass 355.139528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4j0TVyw8hmA
Name 2-{4,4-Dimethyl-2-[2-oxo-2-(4-trifluormethyl-phenyl)-ethylidene]-pyrrolidin-1-yl}-propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F3NO3
InChI InChI=1S/C18H20F3NO3/c1-11(16(24)25)22-10-17(2,3)9-14(22)8-15(23)12-4-6-13(7-5-12)18(19,20)21/h4-8,11H,9-10H2,1-3H3,(H,24,25)/b14-8+
InChIKey XSKFWRKGNGDJAS-RIYZIHGNSA-N
Literature Reference DOI 10.1002/ardp.19973300307
Molecular Weight 355.357 g/mol
SMILES OC(C(C)N1\C(CC(C1)(C)C)=C/C(c1ccc(cc1)C(F)(F)F)=O)=O
SPLASH splash10-01x4-4609000000-84393a59c58a1fdc1858
Source of Spectrum APP-330-81-5e
Synonyms (E)-2-(4,4-dimethyl-2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethylidene)pyrrolidin-1-yl)propanoic acid 2-[(2E)-4,4-dimethyl-2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethylidene]-1-pyrrolidinyl]propanoic acid 2-[(2E)-4,4-dimethyl-2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethylidene]pyrrolidin-1-yl]propanoic acid 2-[(2E)-4,4-dimethyl-2-[2-oxidanylidene-2-[4-(trifluoromethyl)phenyl]ethylidene]pyrrolidin-1-yl]propanoic acid
Wiley ID 1770187