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(2E,6S)-3-Chloro-6-hydroxyoct-2-en-4-one
SpectraBase Compound ID Ebey5EyVI9k
InChI InChI=1S/C8H13ClO2/c1-3-6(10)5-8(11)7(9)4-2/h4,6,10H,3,5H2,1-2H3/b7-4+/t6-/m0/s1
InChIKey MMYJCLIDCAJTQR-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 QbcrO9WcY0
Name (2E,6S)-3-Chloro-6-hydroxyoct-2-en-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13ClO2
InChI InChI=1S/C8H13ClO2/c1-3-6(10)5-8(11)7(9)4-2/h4,6,10H,3,5H2,1-2H3/b7-4+/t6-/m0/s1
InChIKey MMYJCLIDCAJTQR-PDKRUMACSA-N
Molecular Weight 176.643 g/mol
SMILES O[C@](CC(\C(=C/C)Cl)=O)(CC)[H]
SPLASH splash10-0zfr-6900000000-92ac037e28dd530c5951
Source of Spectrum C5-2004-2454-4
Synonyms (2E,6S)-3-chloro-6-hydroxy-2-octen-4-one
Wiley ID 1617344