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(E)-3-(4-oxo-pentylidene)-1-(4-trifluoromethyl-phenyl)- pyrrolidin-2-one
SpectraBase Compound ID DOAWfA0On14
InChI InChI=1S/C16H16F3NO2/c1-11(21)3-2-4-12-9-10-20(15(12)22)14-7-5-13(6-8-14)16(17,18)19/h4-8H,2-3,9-10H2,1H3/b12-4+
InChIKey KBABQMISFAPTNY-UUILKARUSA-N
Mol Weight 311.3 g/mol
Molecular Formula C16H16F3NO2
Exact Mass 311.113313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dq7G8tOjffs
Name (E)-3-(4-oxo-pentylidene)-1-(4-trifluoromethyl-phenyl)- pyrrolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F3NO2
InChI InChI=1S/C16H16F3NO2/c1-11(21)3-2-4-12-9-10-20(15(12)22)14-7-5-13(6-8-14)16(17,18)19/h4-8H,2-3,9-10H2,1H3/b12-4+
InChIKey KBABQMISFAPTNY-UUILKARUSA-N
Literature Reference DOI 10.1021/ol8017209
Molecular Weight 311.304 g/mol
SMILES C1CN(c2ccc(C(F)(F)F)cc2)C(=O)\C1=C/CCC(C)=O
SPLASH splash10-014i-9143000000-5345b9c0ee314c9d2a10
Source of Spectrum A1-10-4291/SMS17-E_4d
Synonyms (E)-3-(4-oxopentylidene)-1-(4-(trifluoromethyl)phenyl)pyrrolidin-2-one
Wiley ID 1759892