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6-tert-butyl-N-cyclohexyl-2-{[(E)-(1,3,5-trimethyl-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)-(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID 4YnMcy7Vo92
InChI InChI=1S/C26H38N4OS/c1-16-21(17(2)30(6)29-16)15-27-25-23(24(31)28-19-10-8-7-9-11-19)20-13-12-18(26(3,4)5)14-22(20)32-25/h15,18-19H,7-14H2,1-6H3,(H,28,31)/b27-15+
InChIKey HDPOBDCJMXPXEC-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 5DAzDdVvBKH
Name 6-tert-butyl-N-cyclohexyl-2-{[(E)-(1,3,5-trimethyl-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/c1-16-21(17(2)30(6)29-16)15-27-25-23(24(31)28-19-10-8-7-9-11-19)20-13-12-18(26(3,4)5)14-22(20)32-25/h15,18-19H,7-14H2,1-6H3,(H,28,31)/b27-15+
InChIKey HDPOBDCJMXPXEC-JFLMPSFJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6306
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/1023994; Labnumber: COL1298; UZI_ID: UZI-006308
Synonyms 6-tert-butyl-N-cyclohexyl-2-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Temperature 318 °C