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4-bromo-N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-ethyl-1H-pyrazole-5-carboxamide

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4-bromo-N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-ethyl-1H-pyrazole-5-carboxamide
SpectraBase Compound ID CahKFvDDAW5
InChI InChI=1S/C20H25BrN4OS/c1-5-20(3,4)12-7-8-13-14(10-22)19(27-16(13)9-12)24-18(26)17-15(21)11-23-25(17)6-2/h11-12H,5-9H2,1-4H3,(H,24,26)
InChIKey KEHRIDXLPHRIIU-UHFFFAOYSA-N
Mol Weight 449.41 g/mol
Molecular Formula C20H25BrN4OS
Exact Mass 448.093246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GkVehY8poiw
Name 4-bromo-N-(3-cyano-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-ethyl-1H-pyrazole-5-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/C20H25BrN4OS/c1-5-20(3,4)12-7-8-13-14(10-22)19(27-16(13)9-12)24-18(26)17-15(21)11-23-25(17)6-2/h11-12H,5-9H2,1-4H3,(H,24,26)
InChIKey KEHRIDXLPHRIIU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20306
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/9161683; UBI_ID: UBI-020310
Temperature 318 °C