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(2E,5E)-2,5-bis(4-butoxy-3-chloro-5-methoxybenzylidene)cyclopentanone

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(2E,5E)-2,5-bis(4-butoxy-3-chloro-5-methoxybenzylidene)cyclopentanone
SpectraBase Compound ID GydqunGCJl7
InChI InChI=1S/C29H34Cl2O5/c1-5-7-11-35-28-23(30)15-19(17-25(28)33-3)13-21-9-10-22(27(21)32)14-20-16-24(31)29(26(18-20)34-4)36-12-8-6-2/h13-18H,5-12H2,1-4H3/b21-13+,22-14+
InChIKey PQPPIKGFODPRDE-JFMUQQRKSA-N
Mol Weight 533.5 g/mol
Molecular Formula C29H34Cl2O5
Exact Mass 532.17833 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 66Gj1qfbhDu
Name (2E,5E)-2,5-bis(4-butoxy-3-chloro-5-methoxybenzylidene)cyclopentanone
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/C29H34Cl2O5/c1-5-7-11-35-28-23(30)15-19(17-25(28)33-3)13-21-9-10-22(27(21)32)14-20-16-24(31)29(26(18-20)34-4)36-12-8-6-2/h13-18H,5-12H2,1-4H3/b21-13+,22-14+
InChIKey PQPPIKGFODPRDE-JFMUQQRKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9474
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/9044912; UBI_ID: UBI-009477
Synonyms 2,5-bis(4-butoxy-3-chloro-5-methoxybenzylidene)cyclopentanone
Temperature 318 °C