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ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
SpectraBase Compound ID 3li3JtvZvOD
InChI InChI=1S/C18H15ClN2O4S2/c1-2-25-18(22)17-16(20)15-13(7-12(21(23)24)8-14(15)27-17)26-9-10-3-5-11(19)6-4-10/h3-8H,2,9,20H2,1H3
InChIKey PFJAJVYQBQGHTG-UHFFFAOYSA-N
Mol Weight 422.9 g/mol
Molecular Formula C18H15ClN2O4S2
Exact Mass 422.016177 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FDiowQI5ev1
Name ethyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-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/C18H15ClN2O4S2/c1-2-25-18(22)17-16(20)15-13(7-12(21(23)24)8-14(15)27-17)26-9-10-3-5-11(19)6-4-10/h3-8H,2,9,20H2,1H3
InChIKey PFJAJVYQBQGHTG-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3721
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/1008106; UBI_ID: UBI-003722
Temperature 308 °C