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1-(4-TOLUENESULFONYL)-3,4,5-TRIBROMO-1H-PYRAZOLE
SpectraBase Compound ID 9o9yX52U0kb
InChI InChI=1S/C10H7Br3N2O2S/c1-6-2-4-7(5-3-6)18(16,17)15-10(13)8(11)9(12)14-15/h2-5H,1H3
InChIKey XOMLEAACPRBQMI-UHFFFAOYSA-N
Mol Weight 458.95 g/mol
Molecular Formula C10H7Br3N2O2S
Exact Mass 455.777838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FCzLICZE5hw
Name 1-(4-TOLUENESULFONYL)-3,4,5-TRIBROMO-1H-PYRAZOLE
Compound Number 10D
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C10H7Br3N2O2S/c1-6-2-4-7(5-3-6)18(16,17)15-10(13)8(11)9(12)14-15/h2-5H,1H3
InChIKey XOMLEAACPRBQMI-UHFFFAOYSA-N
Literature Reference W.HOLZER,C.JAEGER,C.SLATIN HETEROCYCLES,38,2433(1994)
Solvent Chloroform-d
Technique SFORD or GATED-SPECTRUM; SELECTIVE DECOUPLING; APT, DEPT, INEPT; C/H SHIFT CORRELATION