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3-penten-2-one, 3-[[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-4-hydroxy-, (3E)-
SpectraBase Compound ID 7kulY6CFBES
InChI InChI=1S/C19H16ClN3O2S/c1-12(24)17(13(2)25)26-19-22-21-18(15-10-6-7-11-16(15)20)23(19)14-8-4-3-5-9-14/h3-11,24H,1-2H3/b17-12+
InChIKey FHQVYPYFONNOOD-SFQUDFHCSA-N
Mol Weight 385.87 g/mol
Molecular Formula C19H16ClN3O2S
Exact Mass 385.065176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KFUL5bgEhV0
Name 3-penten-2-one, 3-[[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-4-hydroxy-, (3E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.065175639 u
Formula C19H16ClN3O2S
InChI InChI=1S/C19H16ClN3O2S/c1-12(24)17(13(2)25)26-19-22-21-18(15-10-6-7-11-16(15)20)23(19)14-8-4-3-5-9-14/h3-11,24H,1-2H3/b17-12+
InChIKey FHQVYPYFONNOOD-SFQUDFHCSA-N
Molecular Weight 385.869 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13923
Solvent DMSO-d6
Source Vendor ID: NMR/10300484; Lab Info: LP; Lab Number: LP-2190515