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ethyl (2Z)-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID Wu1XZSdMsA
InChI InChI=1S/C31H27IN2O5S/c1-4-38-30(36)27-19(2)33-31-34(28(27)21-8-6-5-7-9-21)29(35)26(40-31)17-20-10-15-25(37-3)22(16-20)18-39-24-13-11-23(32)12-14-24/h5-17,28H,4,18H2,1-3H3/b26-17-
InChIKey SBQNTUDLZPNWNN-ONUIUJJFSA-N
Mol Weight 666.53 g/mol
Molecular Formula C31H27IN2O5S
Exact Mass 666.068538 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ZtcQyA5IaW
Name ethyl (2Z)-2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-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/C31H27IN2O5S/c1-4-38-30(36)27-19(2)33-31-34(28(27)21-8-6-5-7-9-21)29(35)26(40-31)17-20-10-15-25(37-3)22(16-20)18-39-24-13-11-23(32)12-14-24/h5-17,28H,4,18H2,1-3H3/b26-17-
InChIKey SBQNTUDLZPNWNN-ONUIUJJFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2664
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: 9312834; UBI_ID: UBI-002665
Synonyms ethyl 2-{3-[(4-iodophenoxy)methyl]-4-methoxybenzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 318 °C