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

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ethyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 7ADqihc4Usj
InChI InChI=1S/C20H25ClN6O3S2/c1-7-27-17(16-15(21)11(4)26(6)25-16)23-24-20(27)31-9-13(28)22-18-14(19(29)30-8-2)10(3)12(5)32-18/h7-9H2,1-6H3,(H,22,28)
InChIKey WQIWAQYTVHFWJQ-UHFFFAOYSA-N
Mol Weight 497.03 g/mol
Molecular Formula C20H25ClN6O3S2
Exact Mass 496.111809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FqZeNJELgs0
Name ethyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-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/C20H25ClN6O3S2/c1-7-27-17(16-15(21)11(4)26(6)25-16)23-24-20(27)31-9-13(28)22-18-14(19(29)30-8-2)10(3)12(5)32-18/h7-9H2,1-6H3,(H,22,28)
InChIKey WQIWAQYTVHFWJQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11413
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/1030624; Labnumber: NIV1228; UZI_ID: UZI-011415
Temperature 308 °C