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4-cyano-5-(methylthio)-3-(2-thienyl)pyrazole-1-acetic acid, ethyl ester
SpectraBase Compound ID CrHQMUCWosm
InChI InChI=1S/C13H13N3O2S2/c1-3-18-11(17)8-16-13(19-2)9(7-14)12(15-16)10-5-4-6-20-10/h4-6H,3,8H2,1-2H3
InChIKey ZBVKERIWJJRHMO-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C13H13N3O2S2
Exact Mass 307.044919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 38bSFZZATG7
Name 4-CYANO-5-(METHYLTHIO)-3-(2-THIENYL)PYRAZOLE-1-ACETIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O2S2
InChI InChI=1S/C13H13N3O2S2/c1-3-18-11(17)8-16-13(19-2)9(7-14)12(15-16)10-5-4-6-20-10/h4-6H,3,8H2,1-2H3
InChIKey ZBVKERIWJJRHMO-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 104-105C
Molecular Weight 307.40
Solvent CDCl3; Reference=TMS; Temperature 297K