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5-(2-ACETOXY-7-HYDROXY-8-OXOTRIDECYL)-RESORCINOL
SpectraBase Compound ID 13W0HAovres
InChI InChI=1S/C21H32O6/c1-3-4-5-9-20(25)21(26)10-7-6-8-19(27-15(2)22)13-16-11-17(23)14-18(24)12-16/h11-12,14,19,21,23-24,26H,3-10,13H2,1-2H3
InChIKey QMJQLLLAVKGPQF-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O6
Exact Mass 380.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsWeYb9AdiD
Name 5-(2'-Acetoxy-7'-hydroxy-8'-oxotridecyl)-resorcinol
Alternate Name(s) 1-(3,5-dihydroxybenzyl)-6-hydroxy-7-oxododecyl acetate Acetic acid[1-(3,5-dihydroxybenzyl)-6-hydroxy-7-keto-dodecyl]ester Acetic acid[1-(3,5-dihydroxyphenyl)-7-hydroxy-8-oxotridecan-2-yl]ester [1-(3,5-dihydroxyphenyl)-7-hydroxy-8-oxotridecan-2-yl]acetate [1-[(3,5-dihydroxyphenyl)methyl]-6-hydroxy-7-oxo-dodecyl]acetate [1-[3,5-bis(oxidanyl)phenyl]-7-oxidanyl-8-oxidanylidene-tridecan-2-yl]ethanoate Acetic acid [1-(3,5-dihydroxyphenyl)-7-hydroxy-8-oxotridecan-2-yl] ester [1-(3,5-dihydroxyphenyl)-7-hydroxy-8-oxotridecan-2-yl] acetate [1-[(3,5-dihydroxyphenyl)methyl]-6-hydroxy-7-oxo-dodecyl] acetate [1-[3,5-bis(oxidanyl)phenyl]-7-oxidanyl-8-oxidanylidene-tridecan-2-yl] ethanoate
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Formula C21H32O6
InChI InChI=1S/C21H32O6/c1-3-4-5-9-20(25)21(26)10-7-6-8-19(27-15(2)22)13-16-11-17(23)14-18(24)12-16/h11-12,14,19,21,23-24,26H,3-10,13H2,1-2H3
InChIKey QMJQLLLAVKGPQF-UHFFFAOYSA-N
Molecular Weight 380.481 g/mol
SMILES Oc1cc(CC(CCCCC(C(=O)CCCCC)O)OC(=O)C)cc(c1)O
SPLASH splash10-00dl-3930000000-c12706b261b8ff44d4d3
Source of Spectrum G4-60-68-2
Wiley ID 1606587