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3-(4-Chlorobutyl)thio-2,4-pentanedione
SpectraBase Compound ID 8QcTS9HjHcV
InChI InChI=1S/C9H15ClO2S/c1-7(11)9(8(2)12)13-6-4-3-5-10/h9H,3-6H2,1-2H3
InChIKey AJAPPDYRPUUPNL-UHFFFAOYSA-N
Mol Weight 222.73 g/mol
Molecular Formula C9H15ClO2S
Exact Mass 222.048129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNuraiVN1uU
Name 3-(4-Chlorobutyl)thio-2,4-pentanedione
Alternate Name(s) 3-[(4-chlorobutyl)sulfanyl]-2,4-pentanedione
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Formula C9H15ClO2S
InChI InChI=1S/C9H15ClO2S/c1-7(11)9(8(2)12)13-6-4-3-5-10/h9H,3-6H2,1-2H3
InChIKey AJAPPDYRPUUPNL-UHFFFAOYSA-N
Molecular Weight 222.730 g/mol
SMILES C(C(=O)C)(C(=O)C)SCCCCCl
SPLASH splash10-006x-9860000000-a1cb3b2e87b7bd19e492
Source of Spectrum E1-38-228-4
Wiley ID 1518170