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3-[(p-chlorophenyl)carbamoyl]-N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]thiocarbazimidic acid, methyl ester

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3-[(p-chlorophenyl)carbamoyl]-N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]thiocarbazimidic acid, methyl ester
SpectraBase Compound ID 5Si0z7ji1C5
InChI InChI=1S/C14H16ClN5O4S2/c1-8-12(9(2)24-19-8)26(22,23)20-14(25-3)18-17-13(21)16-11-6-4-10(15)5-7-11/h4-7H,1-3H3,(H,18,20)(H2,16,17,21)
InChIKey WLIWNCUPXBJRPA-UHFFFAOYSA-N
Mol Weight 417.89 g/mol
Molecular Formula C14H16ClN5O4S2
Exact Mass 417.033224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7VVjD98Faoz
Name 3-[(p-CHLOROPHENYL)CARBAMOYL]-N-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]THIOCARBAZIMIDIC 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 C14H16ClN5O4S2
InChI InChI=1S/C14H16ClN5O4S2/c1-8-12(9(2)24-19-8)26(22,23)20-14(25-3)18-17-13(21)16-11-6-4-10(15)5-7-11/h4-7H,1-3H3,(H,18,20)(H2,16,17,21)
InChIKey WLIWNCUPXBJRPA-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 196-198C
Molecular Weight 417.90
Solvent DMSO-d6; Reference=TMS; Temperature 297K