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isopropyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-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-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID EVliYLzoc0e
InChI InChI=1S/C24H31ClN6O3S2/c1-13(2)10-31-21(20-16(25)11-30(5)29-20)27-28-24(31)35-12-18(32)26-22-19(23(33)34-14(3)4)15-8-6-7-9-17(15)36-22/h11,13-14H,6-10,12H2,1-5H3,(H,26,32)
InChIKey QBZPCEZNGAZRCH-UHFFFAOYSA-N
Mol Weight 551.12 g/mol
Molecular Formula C24H31ClN6O3S2
Exact Mass 550.158759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AkwgbYfQpcj
Name isopropyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-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/C24H31ClN6O3S2/c1-13(2)10-31-21(20-16(25)11-30(5)29-20)27-28-24(31)35-12-18(32)26-22-19(23(33)34-14(3)4)15-8-6-7-9-17(15)36-22/h11,13-14H,6-10,12H2,1-5H3,(H,26,32)
InChIKey QBZPCEZNGAZRCH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11334
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/1029532; Labnumber: NIV1109; UZI_ID: UZI-011336
Temperature 308 °C