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4-((E)-{(3E)-3-[4-(acetyloxy)-3-chloro-5-methoxybenzylidene]-2-oxocyclopentylidene}methyl)-2-chloro-6-methoxyphenyl acetate

View entire compound with spectra: 1 NMR

4-((E)-{(3E)-3-[4-(acetyloxy)-3-chloro-5-methoxybenzylidene]-2-oxocyclopentylidene}methyl)-2-chloro-6-methoxyphenyl acetate
SpectraBase Compound ID 409TkGPlgc
InChI InChI=1S/C25H22Cl2O7/c1-13(28)33-24-19(26)9-15(11-21(24)31-3)7-17-5-6-18(23(17)30)8-16-10-20(27)25(34-14(2)29)22(12-16)32-4/h7-12H,5-6H2,1-4H3/b17-7+,18-8+
InChIKey FTARXZMKTPCRCQ-ZEELXFFVSA-N
Mol Weight 505.35 g/mol
Molecular Formula C25H22Cl2O7
Exact Mass 504.074258 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5eNxq7Dlged
Name 4-((E)-{(3E)-3-[4-(acetyloxy)-3-chloro-5-methoxybenzylidene]-2-oxocyclopentylidene}methyl)-2-chloro-6-methoxyphenyl acetate
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/C25H22Cl2O7/c1-13(28)33-24-19(26)9-15(11-21(24)31-3)7-17-5-6-18(23(17)30)8-16-10-20(27)25(34-14(2)29)22(12-16)32-4/h7-12H,5-6H2,1-4H3/b17-7+,18-8+
InChIKey FTARXZMKTPCRCQ-ZEELXFFVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8844
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: UZI/9037357; UBI_ID: UBI-008847
Synonyms 4-({3-[4-(acetyloxy)-3-chloro-5-methoxybenzylidene]-2-oxocyclopentylidene}methyl)-2-chloro-6-methoxyphenyl acetate
Temperature 318 °C