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2-ethyl-5-(m-sulfophenyl)isoxazolium hydroxide, inner salt

View entire compound with spectra: 4 NMR, and 1 FTIR

2-ethyl-5-(m-sulfophenyl)isoxazolium hydroxide, inner salt
SpectraBase Compound ID LV34ejCC1m
InChI InChI=1S/C11H11NO4S/c1-2-12-7-6-11(16-12)9-4-3-5-10(8-9)17(13,14)15/h3-8H,2H2,1H3
InChIKey MWOOKDULMBMMPN-UHFFFAOYSA-N
Mol Weight 253.27 g/mol
Molecular Formula C11H11NO4S
Exact Mass 253.040879 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1J1RfU1AJdm
Name 2-ETHYL-5-(m-SULFOPHENYL)ISOXAZOLIUM HYDROXIDE, INNER SALT
Source of Sample Fluka AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO4S
InChI InChI=1S/C11H11NO4S/c1-2-12-7-6-11(16-12)9-4-3-5-10(8-9)17(13,14)15/h3-8H,2H2,1H3
InChIKey MWOOKDULMBMMPN-UHFFFAOYSA-N
Molecular Weight 253.28
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms ISOXAZOLIUM HYDROXIDE, 2-ETHYL-5- /M-SULFOPHENYL/-, INNER SALT