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(+-)-CJ-13,103

View entire compound with spectra: 1 MS (GC)

(+-)-CJ-13,103
SpectraBase Compound ID 3oELLgt0n2E
InChI InChI=1S/C26H38O6/c1-19(27)15-16-20(28)13-11-9-7-5-4-6-8-10-12-14-23-22-17-21(30-2)18-24(31-3)25(22)26(29)32-23/h17-18,23H,4-16H2,1-3H3
InChIKey NQKXBADVXNZTJB-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C26H38O6
Exact Mass 446.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCymYtzqwXi
Name (+-)-CJ-13,103
Alternate Name(s) 16-(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)hexadecane-2,5-dione 16-(4,6-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)hexadecane-2,5-dione 16-(4,6-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)hexadecane-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O6
InChI InChI=1S/C26H38O6/c1-19(27)15-16-20(28)13-11-9-7-5-4-6-8-10-12-14-23-22-17-21(30-2)18-24(31-3)25(22)26(29)32-23/h17-18,23H,4-16H2,1-3H3
InChIKey NQKXBADVXNZTJB-UHFFFAOYSA-N
Molecular Weight 446.584 g/mol
SMILES c12C(OC(c2cc(cc1OC)OC)CCCCCCCCCCCC(=O)CCC(=O)C)=O
SPLASH splash10-0536-6839200000-ff10a1f84f53d8755d47
Source of Spectrum KC-61-10047-5
Wiley ID 1630830