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3-benzofurancarboxylic acid, 5-hydroxy-4-[[[2-oxo-2-(phenylamino)ethyl]thio]methyl]-2-phenyl-, ethyl ester
SpectraBase Compound ID KIx2hLd2Zwt
InChI InChI=1S/C26H23NO5S/c1-2-31-26(30)24-23-19(15-33-16-22(29)27-18-11-7-4-8-12-18)20(28)13-14-21(23)32-25(24)17-9-5-3-6-10-17/h3-14,28H,2,15-16H2,1H3,(H,27,29)
InChIKey MHVHZKJQOOJSQV-UHFFFAOYSA-N
Mol Weight 461.53 g/mol
Molecular Formula C26H23NO5S
Exact Mass 461.129694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GLG4sB4YczE
Name 3-benzofurancarboxylic acid, 5-hydroxy-4-[[[2-oxo-2-(phenylamino)ethyl]thio]methyl]-2-phenyl-, ethyl ester
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/C26H23NO5S/c1-2-31-26(30)24-23-19(15-33-16-22(29)27-18-11-7-4-8-12-18)20(28)13-14-21(23)32-25(24)17-9-5-3-6-10-17/h3-14,28H,2,15-16H2,1H3,(H,27,29)
InChIKey MHVHZKJQOOJSQV-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3660
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: NMR/9236161; Labnumber: BEV-0000297