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N-(ALPHA-METHYLBENZYLIDEN)-3,3,3-TRIFLUOROAALANINE, METHYL ESTER
SpectraBase Compound ID KT5B73yxabM
InChI InChI=1S/C12H12F3NO2/c1-8(9-6-4-3-5-7-9)16-10(11(17)18-2)12(13,14)15/h3-7,10H,1-2H3/b16-8+
InChIKey UUGWCSGGYLAYQS-LZYBPNLTSA-N
Mol Weight 259.23 g/mol
Molecular Formula C12H12F3NO2
Exact Mass 259.082013 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8s6VNoWz5qr
Name N-(ALPHA-METHYLBENZYLIDEN)-3,3,3-TRIFLUOROAALANINE, METHYL ESTER
Comments ;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12F3NO2
InChI InChI=1S/C12H12F3NO2/c1-8(9-6-4-3-5-7-9)16-10(11(17)18-2)12(13,14)15/h3-7,10H,1-2H3/b16-8+
InChIKey UUGWCSGGYLAYQS-LZYBPNLTSA-N
Instrument Name SEE COMMENT
Literature Reference A.B.KHOTKEVICH, V.A.SOLOSHONOK, YU.L.YAGUPOL'SKY (1990) Zhurn.Obsch.Khim.(Russ.Lang.): v.60, N5, 1005-1008.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6