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p-{2-[(1-methyl-5-nitroimidazol-2-yl)sulfonyl]ethoxy}benzoic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

p-{2-[(1-methyl-5-nitroimidazol-2-yl)sulfonyl]ethoxy}benzoic acid
SpectraBase Compound ID A91bhHheelC
InChI InChI=1S/C13H13N3O7S/c1-15-11(16(19)20)8-14-13(15)24(21,22)7-6-23-10-4-2-9(3-5-10)12(17)18/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKey JXIQQWKXLMVRKH-UHFFFAOYSA-N
Mol Weight 355.32 g/mol
Molecular Formula C13H13N3O7S
Exact Mass 355.047421 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HMyzpgdePs7
Name p-{2-[(1-METHYL-5-NITROIMIDAZOL-2-YL)SULFONYL]ETHOXY}BENZOIC ACID
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O7S
InChI InChI=1S/C13H13N3O7S/c1-15-11(16(19)20)8-14-13(15)24(21,22)7-6-23-10-4-2-9(3-5-10)12(17)18/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKey JXIQQWKXLMVRKH-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 355.33
Solvent DMSO-d6; Reference=TMS; Temperature 297K