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o-{[3-(7,8-dihydro-4-methyl-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ureido]sulfonyl}benzoic acid, methyl ester
SpectraBase Compound ID EM3ZC96dNgz
InChI InChI=1S/C17H18N4O5S2/c1-10-12-9-27-8-7-13(12)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-11(14)15(22)26-2/h3-6H,7-9H2,1-2H3,(H2,18,19,20,21,23)
InChIKey NOIGLSQPGIPFJS-UHFFFAOYSA-N
Mol Weight 422.47 g/mol
Molecular Formula C17H18N4O5S2
Exact Mass 422.071862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FhxpEA7rzKI
Name o-{[3-(7,8-DIHYDRO-4-METHYL-5H-THIOPYRANO[4,3-d]PYRIMIDIN-2-YL)UREIDO]SULFONYL}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 C17H18N4O5S2
InChI InChI=1S/C17H18N4O5S2/c1-10-12-9-27-8-7-13(12)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-11(14)15(22)26-2/h3-6H,7-9H2,1-2H3,(H2,18,19,20,21,23)
InChIKey NOIGLSQPGIPFJS-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 210C
Molecular Weight 422.48
Solvent CDCl3; Reference=TMS; Temperature 297K