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ethyl 3-(benzoylamino)-6-[(dimethylamino)methyl]-7-hydroxy-1-benzothiophene-2-carboxylate
SpectraBase Compound ID 27kBKvEqnT9
InChI InChI=1S/C21H22N2O4S/c1-4-27-21(26)19-16(22-20(25)13-8-6-5-7-9-13)15-11-10-14(12-23(2)3)17(24)18(15)28-19/h5-11,24H,4,12H2,1-3H3,(H,22,25)
InChIKey RNECYDQTYUZNRW-UHFFFAOYSA-N
Mol Weight 398.48 g/mol
Molecular Formula C21H22N2O4S
Exact Mass 398.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID jkqT03WYap
Name ethyl 3-(benzoylamino)-6-[(dimethylamino)methyl]-7-hydroxy-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/C21H22N2O4S/c1-4-27-21(26)19-16(22-20(25)13-8-6-5-7-9-13)15-11-10-14(12-23(2)3)17(24)18(15)28-19/h5-11,24H,4,12H2,1-3H3,(H,22,25)
InChIKey RNECYDQTYUZNRW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3318
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: ZI/6014518; Labnumber: SMM-1089; IOH_ID: IOH-003319
Temperature 303 °C