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{4-[(E)-(6-(anilinocarbonyl)-5-(4-isopropylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID 8hjr0ThuYs0
InChI InChI=1S/C32H29N3O5S/c1-19(2)22-11-13-23(14-12-22)29-28(30(38)34-24-7-5-4-6-8-24)20(3)33-32-35(29)31(39)26(41-32)17-21-9-15-25(16-10-21)40-18-27(36)37/h4-17,19,29H,18H2,1-3H3,(H,34,38)(H,36,37)/b26-17+
InChIKey FJZNZSWULWWXJC-YZSQISJMSA-N
Mol Weight 567.7 g/mol
Molecular Formula C32H29N3O5S
Exact Mass 567.182792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5orlVzGF0dy
Name {4-[(E)-(6-(anilinocarbonyl)-5-(4-isopropylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
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/C32H29N3O5S/c1-19(2)22-11-13-23(14-12-22)29-28(30(38)34-24-7-5-4-6-8-24)20(3)33-32-35(29)31(39)26(41-32)17-21-9-15-25(16-10-21)40-18-27(36)37/h4-17,19,29H,18H2,1-3H3,(H,34,38)(H,36,37)/b26-17+
InChIKey FJZNZSWULWWXJC-YZSQISJMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8030
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: 9686120; UBI_ID: UBI-008033
Synonyms {4-[(6-(anilinocarbonyl)-5-(4-isopropylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
Temperature 318 °C