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1-(5-AMINO-3-HYDROXY-1H-PYRAZOL-1-YL)-2-THIO-(ETHYL-2-CYANO-3-PHENYAMINO-ACRYLAT-3-YL)-ETHANONE
SpectraBase Compound ID A2qDpCKtcf8
InChI InChI=1S/C17H17N5O4S/c1-2-26-17(25)12(9-18)16(20-11-6-4-3-5-7-11)27-10-15(24)22-13(19)8-14(23)21-22/h3-8,20H,2,10,19H2,1H3,(H,21,23)/b16-12-
InChIKey BELOGUVPXLTVFD-VBKFSLOCSA-N
Mol Weight 387.41 g/mol
Molecular Formula C17H17N5O4S
Exact Mass 387.100125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7AO5H7GFxLK
Name 1-(5-AMINO-3-HYDROXY-1H-PYRAZOL-1-YL)-2-THIO-(ETHYL-2-CYANO-3-PHENYAMINO-ACRYLAT-3-YL)-ETHANONE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17N5O4S
InChI InChI=1S/C17H17N5O4S/c1-2-26-17(25)12(9-18)16(20-11-6-4-3-5-7-11)27-10-15(24)22-13(19)8-14(23)21-22/h3-8,20H,2,10,19H2,1H3,(H,21,23)/b16-12-
InChIKey BELOGUVPXLTVFD-VBKFSLOCSA-N
Literature Reference Author R.M.MOHAREB,N.N.E.EL-SAYED,M.A.ABDELAZIZ
Literature Reference Citation MOLECULES,17,8449(2012)
Literature Reference DOI 10.3390/molecules17078449
Molecular Weight 387.413 g/mol
Sample ID 1141
Solvent DMSO-D6