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1-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl]-4-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]semicarbazide
SpectraBase Compound ID 1EYcgyAxhJq
InChI InChI=1S/C16H15Cl3N6O4S/c1-7-14(15(19)25(3)22-7)30(27,28)24-21-16(26)20-12-8(2)29-23-13(12)11-9(17)5-4-6-10(11)18/h4-6,24H,1-3H3,(H2,20,21,26)
InChIKey HYQFPUNGIIRCEX-UHFFFAOYSA-N
Mol Weight 493.75 g/mol
Molecular Formula C16H15Cl3N6O4S
Exact Mass 491.994107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYlgzLEefqS
Name 1-[(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)SULFONYL]-4-[3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]SEMICARBAZIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15Cl3N6O4S
InChI InChI=1S/C16H15Cl3N6O4S/c1-7-14(15(19)25(3)22-7)30(27,28)24-21-16(26)20-12-8(2)29-23-13(12)11-9(17)5-4-6-10(11)18/h4-6,24H,1-3H3,(H2,20,21,26)
InChIKey HYQFPUNGIIRCEX-UHFFFAOYSA-N
Melting Point 140-142C
Molecular Weight 493.76
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms SEMICARBAZIDE, 1-//5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL/SULFONYL/- 4-/3-/2,6-DICHLOROPHENYL/-5-METHYL- 4-ISOXAZOLYL/-,