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5-Tert-butyl-3-[3-(3,5-dichlorophenyl)ureido]-2-thiophenecarboxylic acid, methyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

5-Tert-butyl-3-[3-(3,5-dichlorophenyl)ureido]-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 9ci7aeUc6oy
InChI InChI=1S/C17H18Cl2N2O3S/c1-17(2,3)13-8-12(14(25-13)15(22)24-4)21-16(23)20-11-6-9(18)5-10(19)7-11/h5-8H,1-4H3,(H2,20,21,23)
InChIKey KMEJIGBCUZAIIH-UHFFFAOYSA-N
Mol Weight 401.31 g/mol
Molecular Formula C17H18Cl2N2O3S
Exact Mass 400.041519 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H8QYGfgSQ5Z
Name 5-tert-BUTYL-3-[3-(3,5-DICHLOROPHENYL)UREIDO]-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18Cl2N2O3S
InChI InChI=1S/C17H18Cl2N2O3S/c1-17(2,3)13-8-12(14(25-13)15(22)24-4)21-16(23)20-11-6-9(18)5-10(19)7-11/h5-8H,1-4H3,(H2,20,21,23)
InChIKey KMEJIGBCUZAIIH-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 110-112C
Molecular Weight 401.31
Solvent Polysol; Reference=TMS; Temperature 297K