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2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-(hex-1-yn-1-yl)phenyl)-N-propyloctanamide
SpectraBase Compound ID 5XFeqq60oor
InChI InChI=1S/C23H20F15NO/c1-3-5-6-7-10-14-11-8-9-12-15(14)39(13-4-2)16(40)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h8-9,11-12H,3-6,13H2,1-2H3
InChIKey OZZGCGQQMXWKDS-UHFFFAOYSA-N
Mol Weight 611.4 g/mol
Molecular Formula C23H20F15NO
Exact Mass 611.130537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hmu3EecxVFi
Name 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-(hex-1-yn-1-yl)phenyl)-N-propyloctanamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20F15NO
InChI InChI=1S/C23H20F15NO/c1-3-5-6-7-10-14-11-8-9-12-15(14)39(13-4-2)16(40)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h8-9,11-12H,3-6,13H2,1-2H3
InChIKey OZZGCGQQMXWKDS-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201132
Molecular Weight 611.395 g/mol
Quality 183
Reported Formula C23H20F15NO
SMILES C1=CC(=C(C=C1)N(CCC)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C#CCCCC
SPLASH splash10-02ai-0110091000-2cd365294c23b538d8c2
Source of Spectrum K1-26-SM74-15s (DOI: 10.1002/ejoc.202201132)
Thin-Layer Chromatography 0.27 (cHex/EtOAc, 10:1)
Wiley ID 1910478