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2-Methylthiophenyl chloroacetate
SpectraBase Compound ID IutUkzQZHBi
InChI InChI=1S/C9H9ClO2S/c1-13-8-5-3-2-4-7(8)12-9(11)6-10/h2-5H,6H2,1H3
InChIKey DQYBNJQWRZNQQM-UHFFFAOYSA-N
Mol Weight 216.68 g/mol
Molecular Formula C9H9ClO2S
Exact Mass 216.001178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lbc9cLbUf0
Name 2-Methylthiophenyl chloroacetate
Alternate Name(s) (2-methylsulfanylphenyl) 2-chloranylethanoate (2-methylsulfanylphenyl) 2-chloroacetate
Comments Less than 3 mono-isotopic peaks
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Formula C9H9ClO2S
InChI InChI=1S/C9H9ClO2S/c1-13-8-5-3-2-4-7(8)12-9(11)6-10/h2-5H,6H2,1H3
InChIKey DQYBNJQWRZNQQM-UHFFFAOYSA-N
Molecular Weight 216.682 g/mol
SMILES C(CCl)(=O)Oc1c(cccc1)SC
SPLASH splash10-0006-0900000000-6cd371a53339902d32ee
Source of Spectrum KC-1993-1364-0
Wiley ID 778063