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3-(5-Methyl-4-oxo-hexyl)-1-(4-trifluoromethylphenyl)-pyrrolidin-2-one
SpectraBase Compound ID FGXuMAJYu57
InChI InChI=1S/C18H22F3NO2/c1-12(2)16(23)5-3-4-13-10-11-22(17(13)24)15-8-6-14(7-9-15)18(19,20)21/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKey PGVRUSRJVOKGER-UHFFFAOYSA-N
Mol Weight 341.37 g/mol
Molecular Formula C18H22F3NO2
Exact Mass 341.160263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYdi0gRS5eU
Name 3-(5-Methyl-4-oxo-hexyl)-1-(4-trifluoromethylphenyl)-pyrrolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22F3NO2
InChI InChI=1S/C18H22F3NO2/c1-12(2)16(23)5-3-4-13-10-11-22(17(13)24)15-8-6-14(7-9-15)18(19,20)21/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKey PGVRUSRJVOKGER-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8017209
Molecular Weight 341.374 g/mol
SMILES C(CCC1C(=O)N(c2ccc(C(F)(F)F)cc2)CC1)C(C(C)C)=O
SPLASH splash10-0fam-9050000000-38c92fc82384528bc443
Source of Spectrum A1-10-4291/SMS30-8e
Synonyms 3-(5-Methyl-4-oxohexyl)-1-(4-(trifluoromethyl)phenyl)pyrrolidin-2-one
Wiley ID 1759883