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2-fluoro-2-(4-nitrophenyl)cycloheptanone
SpectraBase Compound ID 4F3HM63miLv
InChI InChI=1S/C13H14FNO3/c14-13(9-3-1-2-4-12(13)16)10-5-7-11(8-6-10)15(17)18/h5-8H,1-4,9H2
InChIKey WZKWQEOWRJRGEK-UHFFFAOYSA-N
Mol Weight 251.26 g/mol
Molecular Formula C13H14FNO3
Exact Mass 251.095771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0V9lpM3meL
Name 2-fluoro-2-(4-nitrophenyl)cycloheptanone
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14FNO3
InChI InChI=1S/C13H14FNO3/c14-13(9-3-1-2-4-12(13)16)10-5-7-11(8-6-10)15(17)18/h5-8H,1-4,9H2
InChIKey WZKWQEOWRJRGEK-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 251.257 g/mol
Reported Formula C13H14FNO3
SMILES C1C(C(CCCC1)(c1ccc(cc1)[N+]([O-])=O)F)=O
SPLASH splash10-001i-3900000000-9ac99eab62776341c520
Source of Spectrum CN109232149A
Wiley ID 1872555