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3-(4-oxo-pentyl)-1-(4-trifluoromethyl-phenyl)-pyrrolidin-2-one
SpectraBase Compound ID 8w24pEpvhci
InChI InChI=1S/C16H18F3NO2/c1-11(21)3-2-4-12-9-10-20(15(12)22)14-7-5-13(6-8-14)16(17,18)19/h5-8,12H,2-4,9-10H2,1H3
InChIKey GKQCHBXZMCFNBC-UHFFFAOYSA-N
Mol Weight 313.32 g/mol
Molecular Formula C16H18F3NO2
Exact Mass 313.128963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhdAokMSplL
Name 3-(4-oxo-pentyl)-1-(4-trifluoromethyl-phenyl)-pyrrolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F3NO2
InChI InChI=1S/C16H18F3NO2/c1-11(21)3-2-4-12-9-10-20(15(12)22)14-7-5-13(6-8-14)16(17,18)19/h5-8,12H,2-4,9-10H2,1H3
InChIKey GKQCHBXZMCFNBC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8017209
Molecular Weight 313.320 g/mol
SMILES C(CCC1CCN(c2ccc(C(F)(F)F)cc2)C1=O)C(C)=O
SPLASH splash10-001j-9140000000-6211f51692bb3afc68ca
Source of Spectrum A1-10-4291/SMS29-8d
Synonyms 3-(4-oxopentyl)-1-(4-(trifluoromethyl)phenyl)pyrrolidin-2-one
Wiley ID 1759882