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Benzene, 5-[8-(2,3-dimethoxyphenyl)-1-heptyloctyl]-1,2-dimethoxy-3-pentadecyl-
SpectraBase Compound ID GEjs47imnmD
InChI InChI=1S/C46H78O4/c1-7-9-11-13-14-15-16-17-18-19-20-23-29-34-41-37-42(38-44(48-4)46(41)50-6)39(31-26-22-12-10-8-2)32-27-24-21-25-28-33-40-35-30-36-43(47-3)45(40)49-5/h30,35-39H,7-29,31-34H2,1-6H3
InChIKey QXOMEPUYYYUUHO-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 383uDFFtDpe
Name Benzene, 5-[8-(2,3-dimethoxyphenyl)-1-heptyloctyl]-1,2-dimethoxy-3-pentadecyl-
CAS Registry Number 97072-77-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H78O4
InChI InChI=1S/C46H78O4/c1-7-9-11-13-14-15-16-17-18-19-20-23-29-34-41-37-42(38-44(48-4)46(41)50-6)39(31-26-22-12-10-8-2)32-27-24-21-25-28-33-40-35-30-36-43(47-3)45(40)49-5/h30,35-39H,7-29,31-34H2,1-6H3
InChIKey QXOMEPUYYYUUHO-UHFFFAOYSA-N
Molecular Weight 695.126 g/mol
SMILES c1(cc(OC)c(c(c1)CCCCCCCCCCCCCCC)OC)C(CCCCCCC)CCCCCCCc1c(c(OC)ccc1)OC
SPLASH splash10-0udi-0900002000-b2d8b0e8a52797b61d15
Source of Spectrum J-50-2621-11
Synonyms 3-[8-(3,4-dimethoxy-5-pentadecylphenyl)pentadecyl]veratrole 5-[8-(2,3-dimethoxyphenyl)-1-heptyloctyl]-1,2-dimethoxy-3-pentadecylbenzene
Wiley ID 1414892