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methyl 4-({(2E,5Z)-3-methyl-4-oxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]-1,3-thiazolidin-2-ylidene}amino)benzoate
SpectraBase Compound ID HghZzfpZJUw
InChI InChI=1S/C20H21N3O3S/c1-12-10-15(13(2)22(12)3)11-17-18(24)23(4)20(27-17)21-16-8-6-14(7-9-16)19(25)26-5/h6-11H,1-5H3/b17-11-,21-20+
InChIKey QMORSIQLIJBOBO-YBLIXAOFSA-N
Mol Weight 383.47 g/mol
Molecular Formula C20H21N3O3S
Exact Mass 383.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DDU2hLN5hSg
Name methyl 4-({(2E,5Z)-3-methyl-4-oxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]-1,3-thiazolidin-2-ylidene}amino)benzoate
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/C20H21N3O3S/c1-12-10-15(13(2)22(12)3)11-17-18(24)23(4)20(27-17)21-16-8-6-14(7-9-16)19(25)26-5/h6-11H,1-5H3/b17-11-,21-20+
InChIKey QMORSIQLIJBOBO-YBLIXAOFSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1516
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: C96373; Labnumber: SPDEM2-8099; SBI_ID: SBI-001518
Synonyms methyl 4-({3-methyl-4-oxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]-1,3-thiazolidin-2-ylidene}amino)benzoate
Temperature 308 °C