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CIS-7,7,7-TRIFLUORO-DL-NEOISOMENTHOL, 3,5-DINITROBENZOATE
SpectraBase Compound ID 6LphcPKEMfU
InChI InChI=1S/C17H19F3N2O6/c1-9(2)14-4-3-11(17(18,19)20)7-15(14)28-16(23)10-5-12(21(24)25)8-13(6-10)22(26)27/h5-6,8-9,11,14-15H,3-4,7H2,1-2H3/t11-,14-,15-/m0/s1
InChIKey RYILBUWPYLDIHQ-CQDKDKBSSA-N
Mol Weight 404.34 g/mol
Molecular Formula C17H19F3N2O6
Exact Mass 404.119521 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMKWdmeJdyd
Name CIS-7,7,7-TRIFLUORO-DL-NEOISOMENTHOL, 3,5-DINITROBENZOATE
Comments SCALE INVERTED, CARCAS STRUCTURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H19F3N2O6
InChI InChI=1S/C17H19F3N2O6/c1-9(2)14-4-3-11(17(18,19)20)7-15(14)28-16(23)10-5-12(21(24)25)8-13(6-10)22(26)27/h5-6,8-9,11,14-15H,3-4,7H2,1-2H3/t11-,14-,15-/m0/s1
InChIKey RYILBUWPYLDIHQ-CQDKDKBSSA-N
Instrument Name Tesla BS487
Literature Reference A.N.BLAKITNY, E.V.KONOVALOV, A.P.SEVAST'YAN, YU.A.FIALKOV, L.M.YAGUPOL'SKY(1974) Zhurn.Org.Khim.(Russ. Lang.): v.10, N3, 509-513.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl