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2-Trifluoroacetyl-1-(4-methoxyphenylamino)-cycloheptene
SpectraBase Compound ID AOIhzSUXZeX
InChI InChI=1S/C16H18F3NO2/c1-22-12-9-7-11(8-10-12)20-14-6-4-2-3-5-13(14)15(21)16(17,18)19/h7-10,20H,2-6H2,1H3
InChIKey KMLZZLPZVDMOOD-UHFFFAOYSA-N
Mol Weight 313.32 g/mol
Molecular Formula C16H18F3NO2
Exact Mass 313.128963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRGZzV7VGjn
Name 2-Trifluoroacetyl-1-(4-methoxyphenylamino)-cycloheptene
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F3NO2
InChI InChI=1S/C16H18F3NO2/c1-22-12-9-7-11(8-10-12)20-14-6-4-2-3-5-13(14)15(21)16(17,18)19/h7-10,20H,2-6H2,1H3
InChIKey KMLZZLPZVDMOOD-UHFFFAOYSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.g07
Molecular Weight 313.320 g/mol
SMILES N(C1=C(C(=O)C(F)(F)F)CCCCC1)c1ccc(cc1)OC
SPLASH splash10-0296-0395000000-a2488358e9085c5e2fe5
Source of Spectrum ARK-2008-80-4b
Wiley ID 1869333