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4-Ethoxycarbonyl-2-methylthio-5-trifluoromethyl-1,3-oxazole
SpectraBase Compound ID IJ8BMUcyCQy
InChI InChI=1S/C8H8F3NO3S/c1-3-14-6(13)4-5(8(9,10)11)15-7(12-4)16-2/h3H2,1-2H3
InChIKey RFUJLDPBKZJPEE-UHFFFAOYSA-N
Mol Weight 255.21 g/mol
Molecular Formula C8H8F3NO3S
Exact Mass 255.017699 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eTlwYJuL8b
Name 4-Ethoxycarbonyl-2-methylthio-5-trifluoromethyl-1,3-oxazole
Comments FROM MIXTURE, C-4,7 SHIFTS UNCERTAIN, LINE FOR C7 AT 20.90 PPM IS ELEMININATED - REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H8F3NO3S
InChI InChI=1S/C8H8F3NO3S/c1-3-14-6(13)4-5(8(9,10)11)15-7(12-4)16-2/h3H2,1-2H3
InChIKey RFUJLDPBKZJPEE-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference C. Alvarez-Ibarra, M.M. Lopez-Ranz, J. Chem. Soc. Perkin I 1577 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3