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3,5-dimethyl-4-isoxazolesulfonic acid, p-chlorophenyl ester

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3,5-dimethyl-4-isoxazolesulfonic acid, p-chlorophenyl ester
SpectraBase Compound ID Itt5BLdMJsc
InChI InChI=1S/C11H10ClNO4S/c1-7-11(8(2)16-13-7)18(14,15)17-10-5-3-9(12)4-6-10/h3-6H,1-2H3
InChIKey AEGHAKRWXOUUEZ-UHFFFAOYSA-N
Mol Weight 287.72 g/mol
Molecular Formula C11H10ClNO4S
Exact Mass 287.001907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Uqxt7XbKyu
Name 3,5-DIMETHYL-4-ISOXAZOLESULFONIC ACID, p-CHLOROPHENYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10ClNO4S
InChI InChI=1S/C11H10ClNO4S/c1-7-11(8(2)16-13-7)18(14,15)17-10-5-3-9(12)4-6-10/h3-6H,1-2H3
InChIKey AEGHAKRWXOUUEZ-UHFFFAOYSA-N
Melting Point 64-66C
Molecular Weight 287.72
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 4-ISOXAZOLESULFONIC ACID, 3,5-DIMETHYL-, P-CHLOROPHENYL ESTER