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2-(1-[Difluoro(nitro)methyl]-2,2,2-trifluoro-1-hydroxyethyl)-5-methoxyphenol
SpectraBase Compound ID LHdCwKYXKRF
InChI InChI=1S/C10H8F5NO5/c1-21-5-2-3-6(7(17)4-5)8(18,9(11,12)13)10(14,15)16(19)20/h2-4,17-18H,1H3
InChIKey XJBSLGNXTKYSMK-UHFFFAOYSA-N
Mol Weight 317.17 g/mol
Molecular Formula C10H8F5NO5
Exact Mass 317.032263 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ApUccOKYpII
Name 5-METHOXY-2-(1-HYDROXY-2-NITROPENTAFLUOROISOPROPYL)PHENOL
Comments SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H8F5NO5
InChI InChI=1S/C10H8F5NO5/c1-21-5-2-3-6(7(17)4-5)8(18,9(11,12)13)10(14,15)16(19)20/h2-4,17-18H,1H3
InChIKey XJBSLGNXTKYSMK-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference V.I.DYACHENKO, A.F.KOLOMIETS, A.V.FOKIN (1989) Izv.Akad.Nauk SSSR(Russ. Lang.):N6, 1436-1440.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d