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4-[(E)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methyl-3-nitrobenzenesulfonate
SpectraBase Compound ID 4u4URpGvHmv
InChI InChI=1S/C17H13N3O6S2/c1-10-2-7-13(9-14(10)20(22)23)28(24,25)26-12-5-3-11(4-6-12)8-15-16(21)19-17(18)27-15/h2-9H,1H3,(H2,18,19,21)/b15-8+
InChIKey XSWDWDLPTSDSBC-OVCLIPMQSA-N
Mol Weight 419.43 g/mol
Molecular Formula C17H13N3O6S2
Exact Mass 419.024577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6akFLRdErvN
Name 4-[(E)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methyl-3-nitrobenzenesulfonate
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/C17H13N3O6S2/c1-10-2-7-13(9-14(10)20(22)23)28(24,25)26-12-5-3-11(4-6-12)8-15-16(21)19-17(18)27-15/h2-9H,1H3,(H2,18,19,21)/b15-8+
InChIKey XSWDWDLPTSDSBC-OVCLIPMQSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7682
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: 9685960; UBI_ID: UBI-007685
Synonyms 4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methyl-3-nitrobenzenesulfonate
Temperature 308 °C