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(2S,5E)-5-Chloro-2-hydroxyoct-5-en-4-one
SpectraBase Compound ID AjRAtpYhFeZ
InChI InChI=1S/C8H13ClO2/c1-3-4-7(9)8(11)5-6(2)10/h4,6,10H,3,5H2,1-2H3/b7-4+/t6-/m0/s1
InChIKey YKSUQSZGZYFTDB-PDKRUMACSA-N
Mol Weight 176.64 g/mol
Molecular Formula C8H13ClO2
Exact Mass 176.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QaFoXF0hxa
Name (2S,5E)-5-Chloro-2-hydroxyoct-5-en-4-one
Alternate Name(s) (2S,5E)-5-chloro-2-hydroxy-5-octen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13ClO2
InChI InChI=1S/C8H13ClO2/c1-3-4-7(9)8(11)5-6(2)10/h4,6,10H,3,5H2,1-2H3/b7-4+/t6-/m0/s1
InChIKey YKSUQSZGZYFTDB-PDKRUMACSA-N
Molecular Weight 176.643 g/mol
SMILES O[C@](CC(\C(=C/CC)Cl)=O)(C)[H]
SPLASH splash10-014i-2900000000-03e050a6d142c87a6bb6
Source of Spectrum C5-2004-2453-4
Wiley ID 1617352