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{4-[(E)-(6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
SpectraBase Compound ID 6ykiB32kBD0
InChI InChI=1S/C25H21FN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)/b19-12+
InChIKey CSPRGWWRNRXUMD-XDHOZWIPSA-N
Mol Weight 496.51 g/mol
Molecular Formula C25H21FN2O6S
Exact Mass 496.110436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JYmBjdANiiK
Name {4-[(E)-(6-(ethoxycarbonyl)-5-(4-fluorophenyl)-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/C25H21FN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)/b19-12+
InChIKey CSPRGWWRNRXUMD-XDHOZWIPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15637
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: C74995; Labnumber: SPDEM-0991; SBI_ID: SBI-015640
Synonyms {4-[(6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
Temperature 318 °C