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7-Fluoro-1,1-dimethyl-3-phenyl-1H-isoindole 2-Oxide
SpectraBase Compound ID BLvehFxR8VJ
InChI InChI=1S/C16H14FNO/c1-16(2)14-12(9-6-10-13(14)17)15(18(16)19)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKey SAIDLNCMZGMPFW-UHFFFAOYSA-N
Mol Weight 255.29 g/mol
Molecular Formula C16H14FNO
Exact Mass 255.105942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WFLiqHWccA
Name 7-Fluoro-1,1-dimethyl-3-phenyl-1H-isoindole 2-Oxide
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.105942237 u
Formula C16H14FNO
InChI InChI=1S/C16H14FNO/c1-16(2)14-12(9-6-10-13(14)17)15(18(16)19)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKey SAIDLNCMZGMPFW-UHFFFAOYSA-N
Instrument Name Waters AutoSpec Premier
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.2c02797
Molecular Weight 255.292 g/mol
Quality 243
Reported Formula C16H14NOF
SMILES C1=C(C2=C(C=C1)C(=[N+](C2(C)C)[O-])C1=CC=CC=C1)F
SPLASH splash10-0a4r-0090000000-2cc17ffd32aae5505321
Source of Spectrum JOC-88-2389-2e (DOI: 10.1021/acs.joc.2c02797)
Thin-Layer Chromatography 0.30 (Hexane/EtOAc, 5:1)
Wiley ID 1912633