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Cathine PFO

View entire compound with spectra: 1 MS (GC)

Cathine PFO
SpectraBase Compound ID 3suPAJ82OYd
InChI InChI=1S/C17H12F15NO2/c1-7(9(34)8-5-3-2-4-6-8)33-10(35)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h2-7,9,34H,1H3,(H,33,35)/t7-,9+/m0/s1
InChIKey VPZICGAYPKWMIB-IONNQARKSA-N
Mol Weight 547.26 g/mol
Molecular Formula C17H12F15NO2
Exact Mass 547.062851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFomDzPdqwi
Name Cathine PFO
Classification Drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 547.062851073 u
Formula C17H12F15NO2
InChI InChI=1S/C17H12F15NO2/c1-7(9(34)8-5-3-2-4-6-8)33-10(35)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h2-7,9,34H,1H3,(H,33,35)/t7-,9+/m0/s1
InChIKey VPZICGAYPKWMIB-IONNQARKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 547.264 g/mol
Nominal Mass 547 u
Quality 958
Retention Index 3942
SMILES O[C@]([C@@](NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)(C)[H])(C1=CC=CC=C1)[H]
SPLASH splash10-0006-1400910000-b70ad10c9a499c86ca04
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-((1S,2S)-1-hydroxy-1-phenylpropan-2-yl)\roctanamide
Technique GC/MS
Wiley ID DD2024_003272