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4-{{[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}methyl}-2-phenyl-5-thiazolecarboxylic acid, ethyl ester
SpectraBase Compound ID DM6vOb09Kr7
InChI InChI=1S/C16H15N3O2S4/c1-3-21-14(20)12-11(9-23-16-19-18-15(22-2)25-16)17-13(24-12)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKey VKDLJIDTYMLYNG-UHFFFAOYSA-N
Mol Weight 409.6 g/mol
Molecular Formula C16H15N3O2S4
Exact Mass 409.004711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5U5tW2eMQK
Name 4-{{[5-(METHYLTHIO)-1,3,4-THIADIAZOL-2-YL]THIO}METHYL}-2-PHENYL-5-THIAZOLECARBOXYLIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O2S4
InChI InChI=1S/C16H15N3O2S4/c1-3-21-14(20)12-11(9-23-16-19-18-15(22-2)25-16)17-13(24-12)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKey VKDLJIDTYMLYNG-UHFFFAOYSA-N
Melting Point 115-117C
Molecular Weight 409.57
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 5-THIAZOLECARBOXYLIC ACID, 4-{{[5-(METHYLTHIO)-1,3,4-THIADIAZOL-2-YL]THIO}METHYL}-2-PHENYL-, ETHYL ESTER