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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-chloro-5-(methylsulfanyl)benzamide

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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-chloro-5-(methylsulfanyl)benzamide
SpectraBase Compound ID 6KVAhYhvr9Y
InChI InChI=1S/C21H23ClN2OS2/c1-21(2,3)12-5-7-14-16(11-23)20(27-18(14)9-12)24-19(25)15-10-13(26-4)6-8-17(15)22/h6,8,10,12H,5,7,9H2,1-4H3,(H,24,25)
InChIKey QXMSFVGIYXUYRN-UHFFFAOYSA-N
Mol Weight 419.0 g/mol
Molecular Formula C21H23ClN2OS2
Exact Mass 418.094033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7uDd06j4Osa
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-chloro-5-(methylsulfanyl)benzamide
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/C21H23ClN2OS2/c1-21(2,3)12-5-7-14-16(11-23)20(27-18(14)9-12)24-19(25)15-10-13(26-4)6-8-17(15)22/h6,8,10,12H,5,7,9H2,1-4H3,(H,24,25)
InChIKey QXMSFVGIYXUYRN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2927
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/9154843; Labnumber: BACK_UAM/001087; UZI_ID: UZI-002929
Temperature 318 °C