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

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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-chloro-3-nitrobenzamide
SpectraBase Compound ID BApW7HEkBFw
InChI InChI=1S/C20H20ClN3O3S/c1-20(2,3)12-5-6-13-14(10-22)19(28-17(13)9-12)23-18(25)11-4-7-15(21)16(8-11)24(26)27/h4,7-8,12H,5-6,9H2,1-3H3,(H,23,25)
InChIKey CYBYBCTVEVQLQK-UHFFFAOYSA-N
Mol Weight 417.91 g/mol
Molecular Formula C20H20ClN3O3S
Exact Mass 417.09139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IPafwSqRAnr
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-chloro-3-nitrobenzamide
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/C20H20ClN3O3S/c1-20(2,3)12-5-6-13-14(10-22)19(28-17(13)9-12)23-18(25)11-4-7-15(21)16(8-11)24(26)27/h4,7-8,12H,5-6,9H2,1-3H3,(H,23,25)
InChIKey CYBYBCTVEVQLQK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1575
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/8023493; UBI_ID: UBI-001576
Temperature 308 °C