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(2R,5E)-5-Chloro-2-hydroxyoct-5-en-4-one
SpectraBase Compound ID 98I9FLIDcLK
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-/m1/s1
InChIKey YKSUQSZGZYFTDB-LTYDNXFVSA-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 4gnNrBbh8uU
Name (2R,5E)-5-Chloro-2-hydroxyoct-5-en-4-one
Alternate Name(s) (2R,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-/m1/s1
InChIKey YKSUQSZGZYFTDB-LTYDNXFVSA-N
Molecular Weight 176.643 g/mol
SMILES O[C@@](CC(\C(=C/CC)Cl)=O)(C)[H]
SPLASH splash10-05mo-9500000000-958363e1d54fc19a66a7
Source of Spectrum C5-2004-2454-6
Wiley ID 1617350