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5-[5-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2-thienyl]benzene-1,3-dicarboxylic acid
SpectraBase Compound ID D5pth5U8zpl
InChI InChI=1S/C26H26O9S/c27-25(28)19-13-18(14-20(15-19)26(29)30)24-4-3-23(36-24)17-1-2-21-22(16-17)35-12-10-33-8-6-31-5-7-32-9-11-34-21/h1-4,13-16H,5-12H2,(H,27,28)(H,29,30)
InChIKey CJHKLTLUUFNRTE-UHFFFAOYSA-N
Mol Weight 514.55 g/mol
Molecular Formula C26H26O9S
Exact Mass 514.129754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JT49AZwXEJ
Name 5-[5-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2-thienyl]benzene-1,3-dicarboxylic acid
Alternate Name(s) 5-[5-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2-thienyl]isophthalic acid 5-[5-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2-thiophenyl]benzene-1,3-dicarboxylic acid 5-[5-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)thiophen-2-yl]benzene-1,3-dicarboxylic acid
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Formula C26H26O9S
InChI InChI=1S/C26H26O9S/c27-25(28)19-13-18(14-20(15-19)26(29)30)24-4-3-23(36-24)17-1-2-21-22(16-17)35-12-10-33-8-6-31-5-7-32-9-11-34-21/h1-4,13-16H,5-12H2,(H,27,28)(H,29,30)
InChIKey CJHKLTLUUFNRTE-UHFFFAOYSA-N
Molecular Weight 514.545 g/mol
SMILES OC(c1cc(C(=O)O)cc(c1)-c1ccc(s1)-c1cc2OCCOCCOCCOCCOc2cc1)=O
SPLASH splash10-0002-9005120000-f519aeb3045863dcfb68
Source of Spectrum KC-0-1579-14
Wiley ID 825283