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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-(2-chlorophenyl)urea

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N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-(2-chlorophenyl)urea
SpectraBase Compound ID 1xDaujzfQLd
InChI InChI=1S/C20H22ClN3OS/c1-20(2,3)12-8-9-13-14(11-22)18(26-17(13)10-12)24-19(25)23-16-7-5-4-6-15(16)21/h4-7,12H,8-10H2,1-3H3,(H2,23,24,25)
InChIKey SDMNMICIKLXTAD-UHFFFAOYSA-N
Mol Weight 387.93 g/mol
Molecular Formula C20H22ClN3OS
Exact Mass 387.117211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 92iynFMEdLu
Name N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-(2-chlorophenyl)urea
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/C20H22ClN3OS/c1-20(2,3)12-8-9-13-14(11-22)18(26-17(13)10-12)24-19(25)23-16-7-5-4-6-15(16)21/h4-7,12H,8-10H2,1-3H3,(H2,23,24,25)
InChIKey SDMNMICIKLXTAD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21141
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/9349483; UBI_ID: UBI-021145
Temperature 318 °C