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(E)-Methyl-6,6,6-trifluoro-5-oxo-3-(phenyl-N-1-propyn-3-ylamino)-hex-3-enoate
SpectraBase Compound ID K05oivfA15v
InChI InChI=1S/C17H16F3NO3/c1-3-11-21(13-7-5-4-6-8-13)14(9-10-16(23)24-2)12-15(22)17(18,19)20/h1,4-8,12H,9-11H2,2H3/b14-12+
InChIKey BCBOVRIYMHANPH-WYMLVPIESA-N
Mol Weight 339.31 g/mol
Molecular Formula C17H16F3NO3
Exact Mass 339.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCIO8ZmZf2g
Name (E)-Methyl-6,6,6-trifluoro-5-oxo-3-(phenyl-N-1-propyn-3-ylamino)-hex-3-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F3NO3
InChI InChI=1S/C17H16F3NO3/c1-3-11-21(13-7-5-4-6-8-13)14(9-10-16(23)24-2)12-15(22)17(18,19)20/h1,4-8,12H,9-11H2,2H3/b14-12+
InChIKey BCBOVRIYMHANPH-WYMLVPIESA-N
Instrument Name Agilent 6890N-G1530CN GC
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.902
Molecular Weight 339.314 g/mol
SMILES C(C(\C=C/(CCC(OC)=O)N(c1ccccc1)CC#C)=O)(F)(F)F
SPLASH splash10-014i-0093000000-504fe4eb3ab507917dcd
Source of Spectrum ARK-2010-SM4-6f
Wiley ID 1869990