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

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ethyl 2-[({[4-benzyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID C60F7wzmxt
InChI InChI=1S/C25H27ClN6O3S2/c1-6-35-24(34)19-14(2)16(4)37-23(19)27-18(33)13-36-25-29-28-22(21-20(26)15(3)30-31(21)5)32(25)12-17-10-8-7-9-11-17/h7-11H,6,12-13H2,1-5H3,(H,27,33)
InChIKey KBQDPSHJYKXMIE-UHFFFAOYSA-N
Mol Weight 559.1 g/mol
Molecular Formula C25H27ClN6O3S2
Exact Mass 558.127459 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EEuorhM4nRm
Name ethyl 2-[({[4-benzyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-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/C25H27ClN6O3S2/c1-6-35-24(34)19-14(2)16(4)37-23(19)27-18(33)13-36-25-29-28-22(21-20(26)15(3)30-31(21)5)32(25)12-17-10-8-7-9-11-17/h7-11H,6,12-13H2,1-5H3,(H,27,33)
InChIKey KBQDPSHJYKXMIE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11420
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/1030944; Labnumber: NIV1236; UZI_ID: UZI-011422
Temperature 308 °C