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3-({4-[(E)-(6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
SpectraBase Compound ID C7lVdIvdx9q
InChI InChI=1S/C33H30N2O8S/c1-5-42-32(39)28-19(2)34-33-35(29(28)22-10-12-24(40-3)13-11-22)30(36)27(44-33)17-20-9-14-25(26(16-20)41-4)43-18-21-7-6-8-23(15-21)31(37)38/h6-17,29H,5,18H2,1-4H3,(H,37,38)/b27-17+
InChIKey QQINXELBGIEVQM-WPWMEQJKSA-N
Mol Weight 614.7 g/mol
Molecular Formula C33H30N2O8S
Exact Mass 614.172287 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1FsnTe2vem6
Name 3-({4-[(E)-(6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-methoxyphenoxy}methyl)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/C33H30N2O8S/c1-5-42-32(39)28-19(2)34-33-35(29(28)22-10-12-24(40-3)13-11-22)30(36)27(44-33)17-20-9-14-25(26(16-20)41-4)43-18-21-7-6-8-23(15-21)31(37)38/h6-17,29H,5,18H2,1-4H3,(H,37,38)/b27-17+
InChIKey QQINXELBGIEVQM-WPWMEQJKSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4930
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: 9674737; UBI_ID: UBI-004931
Synonyms 3-({4-[(6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Temperature 308 °C