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4-[(E)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
SpectraBase Compound ID ICKGNLx83pL
InChI InChI=1S/C18H14N2O3S/c1-11-2-6-13(7-3-11)17(22)23-14-8-4-12(5-9-14)10-15-16(21)20-18(19)24-15/h2-10H,1H3,(H2,19,20,21)/b15-10+
InChIKey CGVPFPYDAGDBOS-XNTDXEJSSA-N
Mol Weight 338.38 g/mol
Molecular Formula C18H14N2O3S
Exact Mass 338.072513 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ing25bdRaaC
Name 4-[(E)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
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/C18H14N2O3S/c1-11-2-6-13(7-3-11)17(22)23-14-8-4-12(5-9-14)10-15-16(21)20-18(19)24-15/h2-10H,1H3,(H2,19,20,21)/b15-10+
InChIKey CGVPFPYDAGDBOS-XNTDXEJSSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5216
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: 9683536; UBI_ID: UBI-005218
Synonyms 4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
Temperature 308 °C