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(6E)-6-{3-chloro-5-ethoxy-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 KakMT5s5L8r
InChI InChI=1S/C29H24ClN3O3S/c1-3-35-25-15-20(14-23(30)26(25)36-16-19-9-7-8-18(2)12-19)13-22-27(31)33-24(21-10-5-4-6-11-21)17-37-29(33)32-28(22)34/h4-15,17,31H,3,16H2,1-2H3/b22-13+,31-27?
InChIKey ZIGRUYWEPPJEGL-AEVWQIIVSA-N
Mol Weight 530.04 g/mol
Molecular Formula C29H24ClN3O3S
Exact Mass 529.122691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EF80JogODjJ
Name (6E)-6-{3-chloro-5-ethoxy-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/C29H24ClN3O3S/c1-3-35-25-15-20(14-23(30)26(25)36-16-19-9-7-8-18(2)12-19)13-22-27(31)33-24(21-10-5-4-6-11-21)17-37-29(33)32-28(22)34/h4-15,17,31H,3,16H2,1-2H3/b22-13+,31-27?
InChIKey ZIGRUYWEPPJEGL-AEVWQIIVSA-N
NMR Offset 15.4988
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7605
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: 127436; Labnumber: CEP2K-10300; VK_ID: VK-007609
Synonyms 6-{3-chloro-5-ethoxy-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