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m-[3-(5-nitro-3-thenoyl)ureido]benzoic acid, methyl ester

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

m-[3-(5-nitro-3-thenoyl)ureido]benzoic acid, methyl ester
SpectraBase Compound ID 5K98A2LTGk6
InChI InChI=1S/C14H11N3O6S/c1-23-13(19)8-3-2-4-10(5-8)15-14(20)16-12(18)9-6-11(17(21)22)24-7-9/h2-7H,1H3,(H2,15,16,18,20)
InChIKey JFKQZDARANJZRD-UHFFFAOYSA-N
Mol Weight 349.32 g/mol
Molecular Formula C14H11N3O6S
Exact Mass 349.036856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CHoT7jFjqiw
Name m-[3-(5-NITRO-3-THENOYL)UREIDO]BENZOIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N3O6S
InChI InChI=1S/C14H11N3O6S/c1-23-13(19)8-3-2-4-10(5-8)15-14(20)16-12(18)9-6-11(17(21)22)24-7-9/h2-7H,1H3,(H2,15,16,18,20)
InChIKey JFKQZDARANJZRD-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 227-229C (dec.)
Molecular Weight 349.32
Solvent DMSO-d6; Reference=TMS; Temperature 297K