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methyl 2-[({[2-(3,4-dimethoxyphenyl)ethyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 6ORi6QnnkM4
InChI InChI=1S/C21H26N2O4S2/c1-25-15-9-8-13(12-16(15)26-2)10-11-22-21(28)23-19-18(20(24)27-3)14-6-4-5-7-17(14)29-19/h8-9,12H,4-7,10-11H2,1-3H3,(H2,22,23,28)
InChIKey TVOQATRRMCJCEF-UHFFFAOYSA-N
Mol Weight 434.57 g/mol
Molecular Formula C21H26N2O4S2
Exact Mass 434.1334 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 53dEn48IP3P
Name methyl 2-[({[2-(3,4-dimethoxyphenyl)ethyl]amino}carbothioyl)amino]-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/C21H26N2O4S2/c1-25-15-9-8-13(12-16(15)26-2)10-11-22-21(28)23-19-18(20(24)27-3)14-6-4-5-7-17(14)29-19/h8-9,12H,4-7,10-11H2,1-3H3,(H2,22,23,28)
InChIKey TVOQATRRMCJCEF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7770
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/1269450; Labnumber: COL6086; UZI_ID: UZI-007772
Temperature 318 °C