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3-[(E)-((2E)-3-cyclohexyl-4-oxo-2-{[(E)-phenylmethyl]imino}-1,3-thiazolidin-5-ylidene)methyl]phenyl hydrogen carbonate
SpectraBase Compound ID AInAS1sHsCf
InChI InChI=1S/C24H24N2O4S/c27-22-21(15-18-10-7-13-20(14-18)30-24(28)29)31-23(25-16-17-8-3-1-4-9-17)26(22)19-11-5-2-6-12-19/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2,(H,28,29)/b21-15+,25-23+
InChIKey YAGLYSNBIHAEMK-DIRPYQRSSA-N
Mol Weight 436.53 g/mol
Molecular Formula C24H24N2O4S
Exact Mass 436.145678 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CPvPC9qdkwH
Name 3-[(E)-((2E)-3-cyclohexyl-4-oxo-2-{[(E)-phenylmethyl]imino}-1,3-thiazolidin-5-ylidene)methyl]phenyl hydrogen carbonate
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/C24H24N2O4S/c27-22-21(15-18-10-7-13-20(14-18)30-24(28)29)31-23(25-16-17-8-3-1-4-9-17)26(22)19-11-5-2-6-12-19/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2,(H,28,29)/b21-15+,25-23+
InChIKey YAGLYSNBIHAEMK-DIRPYQRSSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7625
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: 9686290; UBI_ID: UBI-007628
Synonyms 3-[(3-cyclohexyl-4-oxo-2-{[phenylmethyl]imino}-1,3-thiazolidin-5-ylidene)methyl]phenyl hydrogen carbonate
Temperature 308 °C