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

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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-methyl-4-nitrobenzamide
SpectraBase Compound ID EL855AbFctu
InChI InChI=1S/C21H23N3O3S/c1-12-9-13(5-8-17(12)24(26)27)19(25)23-20-16(11-22)15-7-6-14(21(2,3)4)10-18(15)28-20/h5,8-9,14H,6-7,10H2,1-4H3,(H,23,25)
InChIKey PPHOKNFBVMAQMG-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IWPASTzKod9
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-methyl-4-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/C21H23N3O3S/c1-12-9-13(5-8-17(12)24(26)27)19(25)23-20-16(11-22)15-7-6-14(21(2,3)4)10-18(15)28-20/h5,8-9,14H,6-7,10H2,1-4H3,(H,23,25)
InChIKey PPHOKNFBVMAQMG-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2597
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/8061497; UBI_ID: UBI-002598
Temperature 313 °C