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3,5-dimethyl-4-isoxazolesulfonic acid, phenyl ester

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3,5-dimethyl-4-isoxazolesulfonic acid, phenyl ester
SpectraBase Compound ID opkbjkOQAx
InChI InChI=1S/C11H11NO4S/c1-8-11(9(2)15-12-8)17(13,14)16-10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey LUCVLQMGHVGRPM-UHFFFAOYSA-N
Mol Weight 253.27 g/mol
Molecular Formula C11H11NO4S
Exact Mass 253.040879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JONLBFA0RUe
Name 3,5-DIMETHYL-4-ISOXAZOLESULFONIC ACID, PHENYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO4S
InChI InChI=1S/C11H11NO4S/c1-8-11(9(2)15-12-8)17(13,14)16-10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey LUCVLQMGHVGRPM-UHFFFAOYSA-N
Melting Point 65-68C
Molecular Weight 253.28
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 4-ISOXAZOLESULFONIC ACID, 3,5-DIMETHYL-, PHENYL ESTER