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N-[(+-)-1'-(2",3",4",5",6"-Pentafluorophenyl)ethyl]-[5-2H1]pyrrolidin-2-one
SpectraBase Compound ID HiW5SsLLTSI
InChI InChI=1S/C12H10F5NO/c1-5(18-4-2-3-6(18)19)7-8(13)10(15)12(17)11(16)9(7)14/h5H,2-4H2,1H3/t5-/m0/s1/i4D/t4?,5-
InChIKey ILDSEMUETFWUTR-NVCNMRPDSA-N
Mol Weight 280.22 g/mol
Molecular Formula C12H9DF5NO
Exact Mass 280.074532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUZd8imOmZV
Name N-[(+-)-1'-(2",3",4",5",6"-Pentafluorophenyl)ethyl]-[5-2H1]pyrrolidin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H9DF5NO
InChI InChI=1S/C12H10F5NO/c1-5(18-4-2-3-6(18)19)7-8(13)10(15)12(17)11(16)9(7)14/h5H,2-4H2,1H3/t5-/m0/s1/i4D/t4?,5-
InChIKey ILDSEMUETFWUTR-NVCNMRPDSA-N
Molecular Weight 280.216 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)[C@@](N1C(CCC1[D])=O)(C)[H]
SPLASH splash10-001i-0090000000-3e96a2c030424a195247
Source of Spectrum KC-0-1110-11
Synonyms N-[(+-)-1'-(2'',3'',4'',5'',6''-Pentafluorophenyl)ethyl]-[5-2H1]pyrrolidin-2-one
Wiley ID 785687