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isopropyl 2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-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

isopropyl 2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4Fry8p4piLW
InChI InChI=1S/C24H31ClN6O3S2/c1-5-6-11-31-21(20-16(25)12-30(4)29-20)27-28-24(31)35-13-18(32)26-22-19(23(33)34-14(2)3)15-9-7-8-10-17(15)36-22/h12,14H,5-11,13H2,1-4H3,(H,26,32)
InChIKey YNUMDGUXGXHZBU-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 8vgevEoOECS
Name isopropyl 2-[({[4-butyl-5-(4-chloro-1-methyl-1H-pyrazol-3-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/C24H31ClN6O3S2/c1-5-6-11-31-21(20-16(25)12-30(4)29-20)27-28-24(31)35-13-18(32)26-22-19(23(33)34-14(2)3)15-9-7-8-10-17(15)36-22/h12,14H,5-11,13H2,1-4H3,(H,26,32)
InChIKey YNUMDGUXGXHZBU-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11331
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/1031264; Labnumber: NIV1105; UZI_ID: UZI-011333
Temperature 308 °C