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1,2,5-Thiadiazole-3-carboxylic acid, 4-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID 8IFji6KWTr
InChI InChI=1S/C6H5F3N2O2S/c1-2-13-5(12)3-4(6(7,8)9)11-14-10-3/h2H2,1H3
InChIKey PXZQRTIANBTYNH-UHFFFAOYSA-N
Mol Weight 226.17 g/mol
Molecular Formula C6H5F3N2O2S
Exact Mass 226.002383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qY9OVoaiq1
Name 4-Trifluoromethyl-1,2,5-thiadiazole-3-carboxylic acid, ethyl ester
CAS Registry Number 112390-34-8
Comments SHIFTCORRECTION: +1.0 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H5F3N2O2S
InChI InChI=1S/C6H5F3N2O2S/c1-2-13-5(12)3-4(6(7,8)9)11-14-10-3/h2H2,1H3
InChIKey PXZQRTIANBTYNH-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference P.J. Dunn, C.W. Rees, J. Chem. Soc. Perkin I 1585 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3