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isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2ZiPn6otnlq
InChI InChI=1S/C23H29ClN6O3S2/c1-6-30-20(19-18(24)13(4)29(5)28-19)26-27-23(30)34-11-16(31)25-21-17(22(32)33-12(2)3)14-9-7-8-10-15(14)35-21/h12H,6-11H2,1-5H3,(H,25,31)
InChIKey ORYLFKLDRWXOHN-UHFFFAOYSA-N
Mol Weight 537.1 g/mol
Molecular Formula C23H29ClN6O3S2
Exact Mass 536.143109 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KBd2CGiJoKa
Name isopropyl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C23H29ClN6O3S2/c1-6-30-20(19-18(24)13(4)29(5)28-19)26-27-23(30)34-11-16(31)25-21-17(22(32)33-12(2)3)14-9-7-8-10-15(14)35-21/h12H,6-11H2,1-5H3,(H,25,31)
InChIKey ORYLFKLDRWXOHN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11412
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/1032058; Labnumber: NIV1227; UZI_ID: UZI-011414
Temperature 308 °C