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ethyl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-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-1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 2vvOfVUnOmL
InChI InChI=1S/C24H24ClFN6O3S2/c1-6-35-23(34)18-12(2)14(4)37-22(18)27-17(33)11-36-24-29-28-21(20-19(25)13(3)30-31(20)5)32(24)16-9-7-15(26)8-10-16/h7-10H,6,11H2,1-5H3,(H,27,33)
InChIKey LCYYQDWGPLCRBR-UHFFFAOYSA-N
Mol Weight 563.07 g/mol
Molecular Formula C24H24ClFN6O3S2
Exact Mass 562.102387 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GLbRBzvvjpv
Name ethyl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-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/C24H24ClFN6O3S2/c1-6-35-23(34)18-12(2)14(4)37-22(18)27-17(33)11-36-24-29-28-21(20-19(25)13(3)30-31(20)5)32(24)16-9-7-15(26)8-10-16/h7-10H,6,11H2,1-5H3,(H,27,33)
InChIKey LCYYQDWGPLCRBR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11409
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/1031364; Labnumber: NIV1222; UZI_ID: UZI-011411
Temperature 308 °C