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

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ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 6Qf73cq3EZR
InChI InChI=1S/C23H22ClFN6O3S2/c1-5-34-22(33)18-12(2)13(3)36-21(18)26-17(32)11-35-23-28-27-20(19-16(24)10-30(4)29-19)31(23)15-8-6-14(25)7-9-15/h6-10H,5,11H2,1-4H3,(H,26,32)
InChIKey KVGPLDMEENSWMS-UHFFFAOYSA-N
Mol Weight 549.04 g/mol
Molecular Formula C23H22ClFN6O3S2
Exact Mass 548.086737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJjsCfpazPM
Name ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-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/C23H22ClFN6O3S2/c1-5-34-22(33)18-12(2)13(3)36-21(18)26-17(32)11-35-23-28-27-20(19-16(24)10-30(4)29-19)31(23)15-8-6-14(25)7-9-15/h6-10H,5,11H2,1-4H3,(H,26,32)
InChIKey KVGPLDMEENSWMS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11428
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/1032047; Labnumber: NIV1252; UZI_ID: UZI-011430
Temperature 308 °C