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ethyl 2-[({[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate

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ethyl 2-[({[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 79fGvvpmmaI
InChI InChI=1S/C24H25ClN6O3S2/c1-6-34-23(33)20-13(2)15(4)36-22(20)26-19(32)12-35-24-28-27-21(18-11-30(5)29-14(18)3)31(24)17-9-7-16(25)8-10-17/h7-11H,6,12H2,1-5H3,(H,26,32)
InChIKey FFPPOBYYBFNJOJ-UHFFFAOYSA-N
Mol Weight 545.08 g/mol
Molecular Formula C24H25ClN6O3S2
Exact Mass 544.111809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID WPWUQf4ucB
Name ethyl 2-[({[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H25ClN6O3S2/c1-6-34-23(33)20-13(2)15(4)36-22(20)26-19(32)12-35-24-28-27-21(18-11-30(5)29-14(18)3)31(24)17-9-7-16(25)8-10-17/h7-11H,6,12H2,1-5H3,(H,26,32)
InChIKey FFPPOBYYBFNJOJ-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11348
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1030024; Labnumber: NIV1125; UZI_ID: UZI-011350
Temperature 308 °C