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ethyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-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-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 834eM2yEvaS
InChI InChI=1S/C25H27ClN6O3S2/c1-7-35-24(34)19-14(3)16(5)37-23(19)27-18(33)12-36-25-29-28-22(21-20(26)15(4)31(6)30-21)32(25)17-10-8-13(2)9-11-17/h8-11H,7,12H2,1-6H3,(H,27,33)
InChIKey YNQUFPVALVZNLL-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 48oIij8VwAD
Name ethyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-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/c1-7-35-24(34)19-14(3)16(5)37-23(19)27-18(33)12-36-25-29-28-22(21-20(26)15(4)31(6)30-21)32(25)17-10-8-13(2)9-11-17/h8-11H,7,12H2,1-6H3,(H,27,33)
InChIKey YNQUFPVALVZNLL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11415
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/1030285; Labnumber: NIV1231; UZI_ID: UZI-011417
Temperature 308 °C