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Pyrazole derivative
SpectraBase Compound ID K6BKCeY7AYC
InChI InChI=1S/C15H16N2O8S/c1-22-11(18)7-10(14(20)24-3)26-6-5-17-8-9(13(19)23-2)12(16-17)15(21)25-4/h5-8H,1-4H3/b6-5-,10-7-
InChIKey QTQQQRNTCDXXRI-ICZHLNMZSA-N
Mol Weight 384.36 g/mol
Molecular Formula C15H16N2O8S
Exact Mass 384.062737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87EaFEhRCft
Name Pyrazole derivative
CAS Registry Number 61558-10-9
Comments SHIFT OF C6 CHANGED FROM 144.4 PPM (PRINTING ERROR ?)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H16N2O8S
InChI InChI=1S/C15H16N2O8S/c1-22-11(18)7-10(14(20)24-3)26-6-5-17-8-9(13(19)23-2)12(16-17)15(21)25-4/h5-8H,1-4H3/b6-5-,10-7-
InChIKey QTQQQRNTCDXXRI-ICZHLNMZSA-N
Instrument Name Bruker WP-60
Literature Reference K.T. Potts, D.R. Choudhury, J. Org. Chem. 42, 1648 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3