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(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 6lxzQ4HH1Uf
Name (5R,6S)-6-Acetocy-5-hexadecanolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(CCC[C@]([C@](CCCCCCCCCC)(OC(=O)C)[H])(O1)[H])=O
SPLASH splash10-0002-9040000000-e728f569a83e80ddbc0a
Source of Spectrum KD-16-1307-1
Synonyms (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
Wiley ID 1637571