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6-tert-butyl-N-cyclohexyl-2-{[(E)-(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID LbosItB4bul
InChI InChI=1S/C26H38N4OS/c1-6-30-17(2)18(16-28-30)15-27-25-23(24(31)29-20-10-8-7-9-11-20)21-13-12-19(26(3,4)5)14-22(21)32-25/h15-16,19-20H,6-14H2,1-5H3,(H,29,31)/b27-15+
InChIKey FMNNHNSMSSGZIG-JFLMPSFJSA-N
Mol Weight 454.7 g/mol
Molecular Formula C26H38N4OS
Exact Mass 454.276633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 62PvitAaMWu
Name 6-tert-butyl-N-cyclohexyl-2-{[(E)-(1-ethyl-5-methyl-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/C26H38N4OS/c1-6-30-17(2)18(16-28-30)15-27-25-23(24(31)29-20-10-8-7-9-11-20)21-13-12-19(26(3,4)5)14-22(21)32-25/h15-16,19-20H,6-14H2,1-5H3,(H,29,31)/b27-15+
InChIKey FMNNHNSMSSGZIG-JFLMPSFJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6308
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/1025516; Labnumber: COL1300; UZI_ID: UZI-006310
Synonyms 6-tert-butyl-N-cyclohexyl-2-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Temperature 318 °C