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Benzene, 1-[8-(2,3-dimethoxyphenyl)-1-heptyloctyl]-2,3-dimethoxy-4-pentadecyl-
SpectraBase Compound ID CErM6qEExoN
InChI InChI=1S/C46H78O4/c1-7-9-11-13-14-15-16-17-18-19-20-23-29-34-41-37-38-42(46(50-6)45(41)49-5)39(31-26-22-12-10-8-2)32-27-24-21-25-28-33-40-35-30-36-43(47-3)44(40)48-4/h30,35-39H,7-29,31-34H2,1-6H3
InChIKey PDXQQXCAFMGVPI-UHFFFAOYSA-N
Mol Weight 695.1 g/mol
Molecular Formula C46H78O4
Exact Mass 694.590011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xO6H7Ncei5
Name Benzene, 1-[8-(2,3-dimethoxyphenyl)-1-heptyloctyl]-2,3-dimethoxy-4-pentadecyl-
CAS Registry Number 97072-81-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H78O4
InChI InChI=1S/C46H78O4/c1-7-9-11-13-14-15-16-17-18-19-20-23-29-34-41-37-38-42(46(50-6)45(41)49-5)39(31-26-22-12-10-8-2)32-27-24-21-25-28-33-40-35-30-36-43(47-3)44(40)48-4/h30,35-39H,7-29,31-34H2,1-6H3
InChIKey PDXQQXCAFMGVPI-UHFFFAOYSA-N
Molecular Weight 695.126 g/mol
SMILES c1(c(ccc(c1OC)CCCCCCCCCCCCCCC)C(CCCCCCC)CCCCCCCc1c(c(OC)ccc1)OC)OC
SPLASH splash10-0uxr-0900001000-9fffc63c36f9768582a2
Source of Spectrum J-50-2621-15
Synonyms 1-[8-(2,3-dimethoxyphenyl)-1-heptyloctyl]-2,3-dimethoxy-4-pentadecylbenzene 3-[8-(2,3-dimethoxy-4-pentadecylphenyl)pentadecyl]veratrole
Wiley ID 1414896