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6-tert-butyl-N-cyclohexyl-2-{[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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6-tert-butyl-N-cyclohexyl-2-{[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID 3lmkEDvjA0a
InChI InChI=1S/C25H36N4OS/c1-16-17(15-27-29(16)5)14-26-24-22(23(30)28-19-9-7-6-8-10-19)20-12-11-18(25(2,3)4)13-21(20)31-24/h14-15,18-19H,6-13H2,1-5H3,(H,28,30)/b26-14+
InChIKey UPQWKMYKYNVFAW-VULFUBBASA-N
Mol Weight 440.7 g/mol
Molecular Formula C25H36N4OS
Exact Mass 440.260983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2bjrZ8FTtwG
Name 6-tert-butyl-N-cyclohexyl-2-{[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C25H36N4OS/c1-16-17(15-27-29(16)5)14-26-24-22(23(30)28-19-9-7-6-8-10-19)20-12-11-18(25(2,3)4)13-21(20)31-24/h14-15,18-19H,6-13H2,1-5H3,(H,28,30)/b26-14+
InChIKey UPQWKMYKYNVFAW-VULFUBBASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6303
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/1024797; Labnumber: COL1294; UZI_ID: UZI-006305
Synonyms 6-tert-butyl-N-cyclohexyl-2-{[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Temperature 318 °C