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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPsXNLqnXL8
Name 2,5-Dimethoxy-1,4-bis[4'-( 2"-methoxycarbonylphenyl)-1',3'-butanediyl]]-3,6-dimethylbenzene
Alternate Name(s) methyl 2-[(1E,3Z)-4-(2,5-dimethoxy-4-{(1E,3E)-4-[2-(methoxycarbonyl)phenyl]-1,3-butadienyl}-3,6-dimethylphenyl)-1,3-butadienyl]benzoate
CAS Registry Number 142397-78-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c1(c(c(C)c(c(c1C)OC)\C=C/C=C/c1c(C(=O)OC)cccc1)OC)\C=C\C=C\c1c(C(=O)OC)cccc1
SPLASH splash10-000i-0010090000-0579fe6ad653f9531d42
Source of Spectrum K-125-2291-35
Wiley ID 1404393