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(6E)-6-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 1zAlZo8Ezyv
InChI InChI=1S/C28H22ClN3O3S/c1-17-7-6-8-18(11-17)15-35-25-22(29)13-19(14-24(25)34-2)12-21-26(30)32-23(20-9-4-3-5-10-20)16-36-28(32)31-27(21)33/h3-14,16,30H,15H2,1-2H3/b21-12+,30-26?
InChIKey VRSFVILXHPOYOL-TUXVEPKKSA-N
Mol Weight 516.02 g/mol
Molecular Formula C28H22ClN3O3S
Exact Mass 515.10704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C1Yp17squOF
Name (6E)-6-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
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/C28H22ClN3O3S/c1-17-7-6-8-18(11-17)15-35-25-22(29)13-19(14-24(25)34-2)12-21-26(30)32-23(20-9-4-3-5-10-20)16-36-28(32)31-27(21)33/h3-14,16,30H,15H2,1-2H3/b21-12+,30-26?
InChIKey VRSFVILXHPOYOL-TUXVEPKKSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7604
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: 127435; Labnumber: CEP2K-10296; VK_ID: VK-007608
Synonyms 6-{3-chloro-5-methoxy-4-[(3-methylbenzyl)oxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C