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isopropyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)-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-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID J47npAncTty
InChI InChI=1S/C28H32N6O3S2/c1-16(2)37-27(36)24-20-8-6-7-9-22(20)39-26(24)29-23(35)15-38-28-31-30-25(21-14-18(4)32-33(21)5)34(28)19-12-10-17(3)11-13-19/h10-14,16H,6-9,15H2,1-5H3,(H,29,35)
InChIKey IGBKMXJDWADRPI-UHFFFAOYSA-N
Mol Weight 564.7 g/mol
Molecular Formula C28H32N6O3S2
Exact Mass 564.197731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3WWFnrhuPfK
Name isopropyl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)-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/C28H32N6O3S2/c1-16(2)37-27(36)24-20-8-6-7-9-22(20)39-26(24)29-23(35)15-38-28-31-30-25(21-14-18(4)32-33(21)5)34(28)19-12-10-17(3)11-13-19/h10-14,16H,6-9,15H2,1-5H3,(H,29,35)
InChIKey IGBKMXJDWADRPI-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11346
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/1031278; Labnumber: NIV1122; UZI_ID: UZI-011348
Temperature 308 °C