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4-{5-[(Z)-(6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID KErUTYdUfzm
InChI InChI=1S/C28H21FN2O6S/c1-3-36-27(35)23-15(2)30-28-31(24(23)17-8-10-19(29)11-9-17)25(32)22(38-28)14-20-12-13-21(37-20)16-4-6-18(7-5-16)26(33)34/h4-14,24H,3H2,1-2H3,(H,33,34)/b22-14-
InChIKey YOYYBLMLLHKXMB-HMAPJEAMSA-N
Mol Weight 532.54 g/mol
Molecular Formula C28H21FN2O6S
Exact Mass 532.110436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1wi8Np6BwAG
Name 4-{5-[(Z)-(6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-furyl}benzoic 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/C28H21FN2O6S/c1-3-36-27(35)23-15(2)30-28-31(24(23)17-8-10-19(29)11-9-17)25(32)22(38-28)14-20-12-13-21(37-20)16-4-6-18(7-5-16)26(33)34/h4-14,24H,3H2,1-2H3,(H,33,34)/b22-14-
InChIKey YOYYBLMLLHKXMB-HMAPJEAMSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4351
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: 120131; Labnumber: PAVL-05285; VK_ID: VK-004352
Synonyms 4-{5-[(6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-furyl}benzoic acid
Temperature 308 °C