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(5R,6S)-6-Acetocy-5-hexadecanolide

View entire compound with spectra: 2 MS (GC)

(5R,6S)-6-Acetocy-5-hexadecanolide
SpectraBase Compound ID AkFXyhYfoZG
InChI InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-12-16(21-15(2)19)17-13-11-14-18(20)22-17/h16-17H,3-14H2,1-2H3/t16-,17+/m0/s1
InChIKey SPOXUSGCKOQPRB-DLBZAZTESA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdmC0BYdYmB
Name (5R,6S)-6-Acetocy-5-hexadecanolide
Alternate Name(s) (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate Acetic acid [(1S)-1-[(2R)-6-oxo-2-oxanyl]undecyl] ester [(1S)-1-[(2R)-6-oxooxan-2-yl]undecyl] acetate [(1S)-1-[(2R)-6-oxotetrahydropyran-2-yl]undecyl] acetate [(1S)-1-[(2R)-6-oxidanylideneoxan-2-yl]undecyl] ethanoate
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Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-3-4-5-6-7-8-9-10-12-16(21-15(2)19)17-13-11-14-18(20)22-17/h16-17H,3-14H2,1-2H3/t16-,17+/m0/s1
InChIKey SPOXUSGCKOQPRB-DLBZAZTESA-N
Molecular Weight 312.450 g/mol
SMILES C1(O[C@](CCC1)([C@@](OC(=O)C)(CCCCCCCCCC)[H])[H])=O
SPLASH splash10-0002-9400000000-f744563403905d43108e
Source of Spectrum QC-8-637-1
Wiley ID 869704