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5,6-bis(Acetyloxy)-4-methylhexanal
SpectraBase Compound ID CChCAe31ZoM
InChI InChI=1S/C11H18O5/c1-8(5-4-6-12)11(16-10(3)14)7-15-9(2)13/h6,8,11H,4-5,7H2,1-3H3/t8-,11+/m0/s1
InChIKey VIPWZAWBQATTKQ-GZMMTYOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8t9H7TIaJE
Name 5,6-bis(Acetyloxy)-4-methylhexanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-8(5-4-6-12)11(16-10(3)14)7-15-9(2)13/h6,8,11H,4-5,7H2,1-3H3/t8-,11+/m0/s1
InChIKey VIPWZAWBQATTKQ-GZMMTYOYSA-N
Molecular Weight 230.260 g/mol
SMILES C(O[C@](COC(=O)C)([C@](CCC=O)(C)[H])[H])(=O)C
SPLASH splash10-0fr2-9810000000-06f2597e1f3b54f52bef
Source of Spectrum B-53-663-11
Synonyms (4S,5S)-5,6-Diacetoxy-4-methylhexanal 1-[(acetyloxy)methyl]-2-methyl-5-oxopentyl acetate (1S,2S)-1-[(acetyloxy)methyl]-2-methyl-5-oxopentyl acetate Acetic acid (1S,2S)-1-acetoxymethyl-2-methyl-5-oxo-pentyl ester Acetic acid [(2S,3S)-2-acetyloxy-3-methyl-6-oxohexyl] ester [(2S,3S)-2-acetyloxy-3-methyl-6-oxohexyl] acetate [(2S,3S)-2-acetoxy-3-methyl-6-oxo-hexyl] acetate [(2S,3S)-2-acetyloxy-3-methyl-6-oxidanylidene-hexyl] ethanoate
Wiley ID 746944