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7-[2',4'-Dihydroxyundecyl]- (perhydro)bipyran-1-one
SpectraBase Compound ID 1KhQZhDSYc2
InChI InChI=1S/C18H32O5/c1-2-3-4-5-6-7-13(19)8-15-11-16-9-14-10-17(12-18(20)21-14)23(16)24-22-15/h13-17,19H,2-12H2,1H3/t13-,14+,15+,16-,17-/m1/s1
InChIKey AFRUQJNDSLDCAZ-DRRXZNNHSA-N
Mol Weight 328.4 g/mol
Molecular Formula C18H32O5
Exact Mass 328.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnzM05P3AjA
Name 7-[2',4'-Dihydroxyundecyl]- (perhydro)bipyran-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C18H32O5
InChI InChI=1S/C18H32O5/c1-2-3-4-5-6-7-13(19)8-15-11-16-9-14-10-17(12-18(20)21-14)23(16)24-22-15/h13-17,19H,2-12H2,1H3/t13-,14+,15+,16-,17-/m1/s1
InChIKey AFRUQJNDSLDCAZ-DRRXZNNHSA-N
Molecular Weight 328.449 g/mol
SMILES O[C@@](C[C@]1(C[C@@]2([O]([C@]3(CC(O[C@](C3)(C2)[H])=O)[H])[H]O1)[H])[H])(CCCCCCC)[H]
SPLASH splash10-03di-0009000000-0658a8478be7ea216785
Source of Spectrum G4-71-726-1
Synonyms Polyrhacitide A
Wiley ID 1694925