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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide
SpectraBase Compound ID HFksbelG0in
InChI InChI=1S/C20H24N4OS2/c1-12-7-8-22-19(23-12)26-11-17(25)24-18-15(10-21)14-6-5-13(20(2,3)4)9-16(14)27-18/h7-8,13H,5-6,9,11H2,1-4H3,(H,24,25)
InChIKey LSQKOLOWXRQQMK-UHFFFAOYSA-N
Mol Weight 400.56 g/mol
Molecular Formula C20H24N4OS2
Exact Mass 400.139154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4zkjC34cJD9
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide
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/C20H24N4OS2/c1-12-7-8-22-19(23-12)26-11-17(25)24-18-15(10-21)14-6-5-13(20(2,3)4)9-16(14)27-18/h7-8,13H,5-6,9,11H2,1-4H3,(H,24,25)
InChIKey LSQKOLOWXRQQMK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21380
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: D53353; Labnumber: SPDEM5-39782; SBI_ID: SBI-021384
Temperature 318 °C