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methyl (2-bromo-4-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
SpectraBase Compound ID 7DNaxvbOrB
InChI InChI=1S/C22H21BrN2O5S/c1-28-11-10-25-21(27)19(31-22(25)24-16-6-4-3-5-7-16)13-15-8-9-18(17(23)12-15)30-14-20(26)29-2/h3-9,12-13H,10-11,14H2,1-2H3/b19-13+,24-22-
InChIKey XHNVCJUOQWWUKS-XFKFKZEQSA-N
Mol Weight 505.38 g/mol
Molecular Formula C22H21BrN2O5S
Exact Mass 504.035456 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8r9KiZyiyXX
Name methyl (2-bromo-4-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
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/C22H21BrN2O5S/c1-28-11-10-25-21(27)19(31-22(25)24-16-6-4-3-5-7-16)13-15-8-9-18(17(23)12-15)30-14-20(26)29-2/h3-9,12-13H,10-11,14H2,1-2H3/b19-13+,24-22-
InChIKey XHNVCJUOQWWUKS-XFKFKZEQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11488
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: 1003624; UBI_ID: UBI-011491
Synonyms methyl (2-bromo-4-{[3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Temperature 318 °C