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5-tert-(Perfluorobutyl)-4-fluoro-5-hydroxy-1-phenylpyrazolidin-3-one

View entire compound with spectra: 1 MS (GC)

5-tert-(Perfluorobutyl)-4-fluoro-5-hydroxy-1-phenylpyrazolidin-3-one
SpectraBase Compound ID IpIrn9pEvNk
InChI InChI=1S/C13H8F10N2O2/c14-7-8(26)25(6-4-2-1-3-5-6)24-9(7,27)10(11(15,16)17,12(18,19)20)13(21,22)23/h1-5,7,24,27H/t7?,9-/m1/s1
InChIKey AKASBFMPWDSUHZ-NHSZFOGYSA-N
Mol Weight 414.2 g/mol
Molecular Formula C13H8F10N2O2
Exact Mass 414.042609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1GKpiuJQQa
Name 5-tert-(Perfluorobutyl)-4-fluoro-5-hydroxy-1-phenylpyrazolidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8F10N2O2
InChI InChI=1S/C13H8F10N2O2/c14-7-8(26)25(6-4-2-1-3-5-6)24-9(7,27)10(11(15,16)17,12(18,19)20)13(21,22)23/h1-5,7,24,27H/t7?,9-/m1/s1
InChIKey AKASBFMPWDSUHZ-NHSZFOGYSA-N
Molecular Weight 414.203 g/mol
SMILES N1[C@](C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(C(=O)N1c1ccccc1)F)O
SPLASH splash10-01t9-9201600000-a6d3f1b921b05e0c5e73
Source of Spectrum SO-0-1013-3
Wiley ID 1542693