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(E)-1,1,1-Trifluoro-4-(phenyl-N-1-propyn-3-ylamino)-hept-3-en-2-one
SpectraBase Compound ID 4hYV52ugZe6
InChI InChI=1S/C16H16F3NO/c1-3-8-14(12-15(21)16(17,18)19)20(11-4-2)13-9-6-5-7-10-13/h2,5-7,9-10,12H,3,8,11H2,1H3/b14-12+
InChIKey GKPYLBSGCGZBDN-WYMLVPIESA-N
Mol Weight 295.31 g/mol
Molecular Formula C16H16F3NO
Exact Mass 295.118399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gWN8JOQqKJ
Name (E)-1,1,1-Trifluoro-4-(phenyl-N-1-propyn-3-ylamino)-hept-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F3NO
InChI InChI=1S/C16H16F3NO/c1-3-8-14(12-15(21)16(17,18)19)20(11-4-2)13-9-6-5-7-10-13/h2,5-7,9-10,12H,3,8,11H2,1H3/b14-12+
InChIKey GKPYLBSGCGZBDN-WYMLVPIESA-N
Instrument Name Agilent 6890N-G1530CN GC
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.902
Molecular Weight 295.305 g/mol
SMILES C(C(\C=C/(CCC)N(c1ccccc1)CC#C)=O)(F)(F)F
SPLASH splash10-014i-0090000000-2c0760cb2e88095ba1cc
Source of Spectrum ARK-2010-SM3-6c
Wiley ID 1869987