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(2Z,6E)-2,6-bis(4-butoxy-3-chloro-5-methoxybenzylidene)cyclohexanone

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(2Z,6E)-2,6-bis(4-butoxy-3-chloro-5-methoxybenzylidene)cyclohexanone
SpectraBase Compound ID 48JCrvD3cr2
InChI InChI=1S/C30H36Cl2O5/c1-5-7-12-36-29-24(31)16-20(18-26(29)34-3)14-22-10-9-11-23(28(22)33)15-21-17-25(32)30(27(19-21)35-4)37-13-8-6-2/h14-19H,5-13H2,1-4H3/b22-14-,23-15+
InChIKey BYPOAFDGMIEFCS-OQRYGUKSSA-N
Mol Weight 547.5 g/mol
Molecular Formula C30H36Cl2O5
Exact Mass 546.19398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IOlABWd1Xzq
Name (2Z,6E)-2,6-bis(4-butoxy-3-chloro-5-methoxybenzylidene)cyclohexanone
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/C30H36Cl2O5/c1-5-7-12-36-29-24(31)16-20(18-26(29)34-3)14-22-10-9-11-23(28(22)33)15-21-17-25(32)30(27(19-21)35-4)37-13-8-6-2/h14-19H,5-13H2,1-4H3/b22-14-,23-15+
InChIKey BYPOAFDGMIEFCS-OQRYGUKSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8904
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/9038864; UBI_ID: UBI-008907
Synonyms 2,6-bis(4-butoxy-3-chloro-5-methoxybenzylidene)cyclohexanone
Temperature 318 °C