For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-{5-[(Z)-(5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID 8f8Uh0cUSQG
InChI InChI=1S/C28H21ClN2O6S/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 PQUKCWAZXQLTFL-HMAPJEAMSA-N
Mol Weight 549.0 g/mol
Molecular Formula C28H21ClN2O6S
Exact Mass 548.080885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GB5YaKgTuNN
Name 4-{5-[(Z)-(5-(4-chlorophenyl)-6-(ethoxycarbonyl)-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/C28H21ClN2O6S/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 PQUKCWAZXQLTFL-HMAPJEAMSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3100
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: 113004; Labnumber: PAVL-03633; VK_ID: VK-003101
Synonyms 4-{5-[(5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-furyl}benzoic acid
Temperature 308 °C