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3',6'-bis(4"-Hydroxy-2"-oxabutyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylic acid
SpectraBase Compound ID 4t56wGNkrO1
InChI InChI=1S/C29H30O8/c1-34-27-21(17-37-12-10-31)14-20-13-18(16-36-11-9-30)7-8-23(20)25(27)26-22-6-4-3-5-19(22)15-24(29(32)33)28(26)35-2/h3-8,13-15,30-31H,9-12,16-17H2,1-2H3,(H,32,33)
InChIKey IWKFUGDTMGAQSC-UHFFFAOYSA-N
Mol Weight 506.55 g/mol
Molecular Formula C29H30O8
Exact Mass 506.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9egcXAjWsPi
Name 3',6'-bis(4"-Hydroxy-2"-oxabutyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylic acid
Alternate Name(s) 3',6'-bis(4''-Hydroxy-2''-oxabutyl)-2,2'-dimethoxy-1,1'-binaphthalene-3-carboxylic acid 4-{3,6-bis[(2-hydroxyethoxy)methyl]-2-methoxynaphthalen-1-yl}-3-methoxynaphthalene-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C29H30O8
InChI InChI=1S/C29H30O8/c1-34-27-21(17-37-12-10-31)14-20-13-18(16-36-11-9-30)7-8-23(20)25(27)26-22-6-4-3-5-19(22)15-24(29(32)33)28(26)35-2/h3-8,13-15,30-31H,9-12,16-17H2,1-2H3,(H,32,33)
InChIKey IWKFUGDTMGAQSC-UHFFFAOYSA-N
Molecular Weight 506.551 g/mol
SMILES OCCOCc1cc2c(c(c(c(COCCO)c2)OC)-c2c(c(cc3c2cccc3)C(=O)O)OC)cc1
SPLASH splash10-0002-0000930000-3e3d12e338d5efaffff9
Source of Spectrum G-62-936-13
Wiley ID 749240