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1-Benzyl-2-keto-5,5-dimethyl-4-[3-(trifluoromethyl)benzyl]-3-pyrroline-3-carboxylic acid ethyl ester
SpectraBase Compound ID 49kyWpsgiRL
InChI InChI=1S/C24H24F3NO3/c1-4-31-22(30)20-19(14-17-11-8-12-18(13-17)24(25,26)27)23(2,3)28(21(20)29)15-16-9-6-5-7-10-16/h5-13H,4,14-15H2,1-3H3
InChIKey PBPFELWAMBSLFP-UHFFFAOYSA-N
Mol Weight 431.46 g/mol
Molecular Formula C24H24F3NO3
Exact Mass 431.170828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1Zg1Vt3WiT
Name 1-Benzyl-2-keto-5,5-dimethyl-4-[3-(trifluoromethyl)benzyl]-3-pyrroline-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24F3NO3
InChI InChI=1S/C24H24F3NO3/c1-4-31-22(30)20-19(14-17-11-8-12-18(13-17)24(25,26)27)23(2,3)28(21(20)29)15-16-9-6-5-7-10-16/h5-13H,4,14-15H2,1-3H3
InChIKey PBPFELWAMBSLFP-UHFFFAOYSA-N
Molecular Weight 431.455 g/mol
SMILES C1(N(C(C(=C1C(=O)OCC)Cc1cc(ccc1)C(F)(F)F)(C)C)Cc1ccccc1)=O
SPLASH splash10-001l-6001900000-35a4a49948ccf882d7bb
Source of Spectrum F4-0-2028-5
Synonyms 5,5-Dimethyl-2-oxo-1-(phenylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-3-pyrrolecarboxylic acid ethyl ester Ethyl 1-benzyl-5,5-dimethyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxylate Ethyl 5,5-dimethyl-2-oxidanylidene-1-(phenylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxylate
Wiley ID 1619928