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methyl 2-{[(cyclooctylamino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4N2EStAFuCx
InChI InChI=1S/C20H30N2O2S2/c1-13-10-11-15-16(12-13)26-18(17(15)19(23)24-2)22-20(25)21-14-8-6-4-3-5-7-9-14/h13-14H,3-12H2,1-2H3,(H2,21,22,25)
InChIKey NQUGOYNDRXXRBQ-UHFFFAOYSA-N
Mol Weight 394.59 g/mol
Molecular Formula C20H30N2O2S2
Exact Mass 394.174871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3XwP1AjKGvr
Name methyl 2-{[(cyclooctylamino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C20H30N2O2S2/c1-13-10-11-15-16(12-13)26-18(17(15)19(23)24-2)22-20(25)21-14-8-6-4-3-5-7-9-14/h13-14H,3-12H2,1-2H3,(H2,21,22,25)
InChIKey NQUGOYNDRXXRBQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8272
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/1268480; Labnumber: COL7320; UZI_ID: UZI-008274
Temperature 318 °C