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ethyl (2Z)-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 5u8lNvteQLi
InChI InChI=1S/C32H29IN2O6S/c1-5-40-31(37)28-19(2)34-32-35(29(28)21-7-11-24(38-3)12-8-21)30(36)27(42-32)17-20-6-15-26(39-4)22(16-20)18-41-25-13-9-23(33)10-14-25/h6-17,29H,5,18H2,1-4H3/b27-17-
InChIKey YSUPUVZADHFSLG-PKAZHMFMSA-N
Mol Weight 696.6 g/mol
Molecular Formula C32H29IN2O6S
Exact Mass 696.079103 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HINYfXCXKwa
Name ethyl (2Z)-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-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/C32H29IN2O6S/c1-5-40-31(37)28-19(2)34-32-35(29(28)21-7-11-24(38-3)12-8-21)30(36)27(42-32)17-20-6-15-26(39-4)22(16-20)18-41-25-13-9-23(33)10-14-25/h6-17,29H,5,18H2,1-4H3/b27-17-
InChIKey YSUPUVZADHFSLG-PKAZHMFMSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2665
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: 9312732; UBI_ID: UBI-002666
Synonyms ethyl 2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 308 °C