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methyl (2E)-5-[4-(acetyloxy)phenyl]-7-methyl-3-oxo-2-(2-thienylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID CCMVhwoANQL
InChI InChI=1S/C22H18N2O5S2/c1-12-18(21(27)28-3)19(14-6-8-15(9-7-14)29-13(2)25)24-20(26)17(31-22(24)23-12)11-16-5-4-10-30-16/h4-11,19H,1-3H3/b17-11+
InChIKey NJFBJDOKTWCYOL-GZTJUZNOSA-N
Mol Weight 454.52 g/mol
Molecular Formula C22H18N2O5S2
Exact Mass 454.065714 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DqDsLIYusF9
Name methyl (2E)-5-[4-(acetyloxy)phenyl]-7-methyl-3-oxo-2-(2-thienylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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/C22H18N2O5S2/c1-12-18(21(27)28-3)19(14-6-8-15(9-7-14)29-13(2)25)24-20(26)17(31-22(24)23-12)11-16-5-4-10-30-16/h4-11,19H,1-3H3/b17-11+
InChIKey NJFBJDOKTWCYOL-GZTJUZNOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_778
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: 602735EXKam0493; Labnumber: 602735EXKam0493; VK_ID: VK-000779
Synonyms methyl 5-[4-(acetyloxy)phenyl]-7-methyl-3-oxo-2-(2-thienylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 318 °C