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ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID LUdqxfb5dMP
InChI InChI=1S/C20H21NO5S/c1-3-24-20(23)17-13-6-4-11(2)8-16(13)27-19(17)21-18(22)12-5-7-14-15(9-12)26-10-25-14/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H,21,22)
InChIKey STCAOWJZRKINSX-UHFFFAOYSA-N
Mol Weight 387.45 g/mol
Molecular Formula C20H21NO5S
Exact Mass 387.114044 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6byY2spzuWy
Name ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)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/C20H21NO5S/c1-3-24-20(23)17-13-6-4-11(2)8-16(13)27-19(17)21-18(22)12-5-7-14-15(9-12)26-10-25-14/h5,7,9,11H,3-4,6,8,10H2,1-2H3,(H,21,22)
InChIKey STCAOWJZRKINSX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_12019
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/6224486; Labnumber: NSB0004243; UZI_ID: UZI-012022
Temperature 318 °C