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5-(2-ACETOXY-8-OXOTRIDECYL)-RESORCINOL
SpectraBase Compound ID CDWfSvr8Icz
InChI InChI=1S/C21H32O5/c1-3-4-6-9-18(23)10-7-5-8-11-21(26-16(2)22)14-17-12-19(24)15-20(25)13-17/h12-13,15,21,24-25H,3-11,14H2,1-2H3
InChIKey NKOQQNIPHFLJDL-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5BH9HoOSxJ
Name 5-(2'-Acetoxy-8'-oxotridecyl)-resorcinol
Alternate Name(s) 1-(3,5-dihydroxybenzyl)-7-oxododecyl acetate Acetic acid[1-(3,5-dihydroxybenzyl)-7-keto-dodecyl]ester Acetic acid[1-(3,5-dihydroxyphenyl)-8-oxotridecan-2-yl]ester [1-(3,5-dihydroxyphenyl)-8-oxotridecan-2-yl]acetate [1-[(3,5-dihydroxyphenyl)methyl]-7-oxo-dodecyl]acetate [1-[3,5-bis(oxidanyl)phenyl]-8-oxidanylidene-tridecan-2-yl]ethanoate Acetic acid [1-(3,5-dihydroxyphenyl)-8-oxotridecan-2-yl] ester [1-(3,5-dihydroxyphenyl)-8-oxotridecan-2-yl] acetate [1-[(3,5-dihydroxyphenyl)methyl]-7-oxo-dodecyl] acetate [1-[3,5-bis(oxidanyl)phenyl]-8-oxidanylidene-tridecan-2-yl] ethanoate
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Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-3-4-6-9-18(23)10-7-5-8-11-21(26-16(2)22)14-17-12-19(24)15-20(25)13-17/h12-13,15,21,24-25H,3-11,14H2,1-2H3
InChIKey NKOQQNIPHFLJDL-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES Oc1cc(cc(c1)CC(OC(=O)C)CCCCCC(=O)CCCCC)O
SPLASH splash10-00ds-2900000000-1c6c235b170086b8c717
Source of Spectrum G4-60-67-1
Wiley ID 1606589