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2,5-Dimethoxy-1,4-bis[4'-( 2"-methoxycarbonylphenyl)-1',3'-butanediyl]]-3,6-dimethylbenzene

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2,5-Dimethoxy-1,4-bis[4'-( 2"-methoxycarbonylphenyl)-1',3'-butanediyl]]-3,6-dimethylbenzene
SpectraBase Compound ID H3T4Y6AUO3O
InChI InChI=1S/C34H34O6/c1-23-27(19-11-7-15-25-17-9-13-21-29(25)33(35)39-5)32(38-4)24(2)28(31(23)37-3)20-12-8-16-26-18-10-14-22-30(26)34(36)40-6/h7-22H,1-6H3/b15-7+,16-8+,19-11-,20-12+
InChIKey FSLBBKJLEILILD-FLBMUZPYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C34H34O6
Exact Mass 538.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTMGc0HO9Oa
Name 2,5-Dimethoxy-1,4-bis[4'-( 2''-methoxycarbonylphenyl)-1',3'-butanediyl]]-3,6-dimethylbenzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.235538809 u
Formula C34H34O6
InChI InChI=1S/C34H34O6/c1-23-27(19-11-7-15-25-17-9-13-21-29(25)33(35)39-5)32(38-4)24(2)28(31(23)37-3)20-12-8-16-26-18-10-14-22-30(26)34(36)40-6/h7-22H,1-6H3/b15-7+,16-8+,19-11-,20-12+
InChIKey FSLBBKJLEILILD-FLBMUZPYSA-N
Molecular Weight 538.640 g/mol
SMILES C=1(C(=C(C)C(=C(C1C)OC)\C=C/C=C/C1=C(C(=O)OC)C=CC=C1)OC)\C=C\C=C\C1=C(C(=O)OC)C=CC=C1