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benzenesulfonic acid, 2-nitro-, 2-methoxy-4-[(E)-(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenyl ester
SpectraBase Compound ID IBZr4Xu2yZ5
InChI InChI=1S/C17H12N2O7S3/c1-25-13-8-10(9-14-16(20)18-17(27)28-14)6-7-12(13)26-29(23,24)15-5-3-2-4-11(15)19(21)22/h2-9H,1H3,(H,18,20,27)/b14-9+
InChIKey ZRXWYPZAAIIAQQ-NTEUORMPSA-N
Mol Weight 452.47 g/mol
Molecular Formula C17H12N2O7S3
Exact Mass 451.980664 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID tPCPKmCXrs
Name benzenesulfonic acid, 2-nitro-, 2-methoxy-4-[(E)-(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenyl 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/C17H12N2O7S3/c1-25-13-8-10(9-14-16(20)18-17(27)28-14)6-7-12(13)26-29(23,24)15-5-3-2-4-11(15)19(21)22/h2-9H,1H3,(H,18,20,27)/b14-9+
InChIKey ZRXWYPZAAIIAQQ-NTEUORMPSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6838
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/10278985