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methyl 2-[({[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-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

methyl 2-[({[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID IAI3pL2EDxd
InChI InChI=1S/C23H29ClN6O3S2/c1-5-6-11-30-20(19-18(24)13(2)28-29(19)3)26-27-23(30)34-12-16(31)25-21-17(22(32)33-4)14-9-7-8-10-15(14)35-21/h5-12H2,1-4H3,(H,25,31)
InChIKey ZKRLNUHCHIHQCD-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 4jKe4NiRps6
Name methyl 2-[({[4-butyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-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/c1-5-6-11-30-20(19-18(24)13(2)28-29(19)3)26-27-23(30)34-12-16(31)25-21-17(22(32)33-4)14-9-7-8-10-15(14)35-21/h5-12H2,1-4H3,(H,25,31)
InChIKey ZKRLNUHCHIHQCD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11430
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/1030877; Labnumber: NIV1254; UZI_ID: UZI-011432
Temperature 308 °C