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(E)-1,1,1-Trifluoro-4-(N-1-propyn-3-yl-4-tolyl-amino)-oct-3-en-2-one
SpectraBase Compound ID 10plsF1ERY
InChI InChI=1S/C18H20F3NO/c1-4-6-7-16(13-17(23)18(19,20)21)22(12-5-2)15-10-8-14(3)9-11-15/h2,8-11,13H,4,6-7,12H2,1,3H3/b16-13+
InChIKey ZBDVAUDDNSNDKY-DTQAZKPQSA-N
Mol Weight 323.36 g/mol
Molecular Formula C18H20F3NO
Exact Mass 323.149699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7svOHKSUSB
Name (E)-1,1,1-Trifluoro-4-(N-1-propyn-3-yl-4-tolyl-amino)-oct-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20F3NO
InChI InChI=1S/C18H20F3NO/c1-4-6-7-16(13-17(23)18(19,20)21)22(12-5-2)15-10-8-14(3)9-11-15/h2,8-11,13H,4,6-7,12H2,1,3H3/b16-13+
InChIKey ZBDVAUDDNSNDKY-DTQAZKPQSA-N
Instrument Name Agilent 6890N-G1530CN GC
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.902
Molecular Weight 323.359 g/mol
SMILES C(C(\C=C/(CCCC)N(c1ccc(cc1)C)CC#C)=O)(F)(F)F
SPLASH splash10-001i-1593000000-35fb092e8c75eb7cfc8f
Source of Spectrum ARK-2010-SM6-7d
Wiley ID 1869994