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5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate
SpectraBase Compound ID JeGyxbGm73T
InChI InChI=1S/C18H16N2O5S2/c1-11-3-6-13(7-4-11)27(22,23)25-15-9-12(5-8-14(15)24-2)10-16-17(21)20-18(19)26-16/h3-10H,1-2H3,(H2,19,20,21)/b16-10-
InChIKey HXABOVNWQSCTME-YBEGLDIGSA-N
Mol Weight 404.46 g/mol
Molecular Formula C18H16N2O5S2
Exact Mass 404.050064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GLcWg2Wq0Mi
Name 5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate
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/C18H16N2O5S2/c1-11-3-6-13(7-4-11)27(22,23)25-15-9-12(5-8-14(15)24-2)10-16-17(21)20-18(19)26-16/h3-10H,1-2H3,(H2,19,20,21)/b16-10-
InChIKey HXABOVNWQSCTME-YBEGLDIGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7683
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: 9344255; UBI_ID: UBI-007686
Synonyms 5-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate
Temperature 308 °C