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methyl (2E)-2-({5-[(4-chloro-2-nitrophenoxy)methyl]-2-furyl}methylene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 5UcoOHBr9wx
InChI InChI=1S/C27H20ClN3O7S/c1-15-23(26(33)36-2)24(16-6-4-3-5-7-16)30-25(32)22(39-27(30)29-15)13-18-9-10-19(38-18)14-37-21-11-8-17(28)12-20(21)31(34)35/h3-13,24H,14H2,1-2H3/b22-13+
InChIKey IRHPQUDXOPUWSS-LPYMAVHISA-N
Mol Weight 565.98 g/mol
Molecular Formula C27H20ClN3O7S
Exact Mass 565.071049 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3BQiTAX4WvH
Name methyl (2E)-2-({5-[(4-chloro-2-nitrophenoxy)methyl]-2-furyl}methylene)-7-methyl-3-oxo-5-phenyl-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/C27H20ClN3O7S/c1-15-23(26(33)36-2)24(16-6-4-3-5-7-16)30-25(32)22(39-27(30)29-15)13-18-9-10-19(38-18)14-37-21-11-8-17(28)12-20(21)31(34)35/h3-13,24H,14H2,1-2H3/b22-13+
InChIKey IRHPQUDXOPUWSS-LPYMAVHISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8806
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: UZI/1026495; Labnumber: FED0392; UZI_ID: UZI-008808
Synonyms methyl 2-({5-[(4-chloro-2-nitrophenoxy)methyl]-2-furyl}methylene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 318 °C