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5-chloro-1,3-dimethylpyrazole-4-sulfonic acid, 2,4-xylyl ester
SpectraBase Compound ID KTXXNXn3JNy
InChI InChI=1S/C13H15ClN2O3S/c1-8-5-6-11(9(2)7-8)19-20(17,18)12-10(3)15-16(4)13(12)14/h5-7H,1-4H3
InChIKey RAHONKSEPHDVLH-UHFFFAOYSA-N
Mol Weight 314.79 g/mol
Molecular Formula C13H15ClN2O3S
Exact Mass 314.049191 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6bpVQga5Yyz
Name 5-CHLORO-1,3-DIMETHYLPYRAZOLE-4-SULFONIC ACID, 2,4-XYLYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClN2O3S
InChI InChI=1S/C13H15ClN2O3S/c1-8-5-6-11(9(2)7-8)19-20(17,18)12-10(3)15-16(4)13(12)14/h5-7H,1-4H3
InChIKey RAHONKSEPHDVLH-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 54-56C
Molecular Weight 314.79
Solvent CDCl3; Reference=TMS; Temperature 297K