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(3-methylphenyl) 2-chloranylpropanoate
SpectraBase Compound ID 6qKmTCRondJ
InChI InChI=1S/C10H11ClO2/c1-7-4-3-5-9(6-7)13-10(12)8(2)11/h3-6,8H,1-2H3
InChIKey PAAIIYQEPLSEAS-UHFFFAOYSA-N
Mol Weight 198.65 g/mol
Molecular Formula C10H11ClO2
Exact Mass 198.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbxJLQfWfS
Name (3-methylphenyl) 2-chloranylpropanoate
Alternate Name(s) (3-methylphenyl) 2-chloropropanoate 2-chloropropanoic acid (3-methylphenyl) ester 2-chloropropionic acid m-tolyl ester 2-Chloropropionic acid, 3-methylphenyl ester m-tolyl 2-chloropropanoate
Comments Less than 3 mono-isotopic peaks
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Formula C10H11ClO2
InChI InChI=1S/C10H11ClO2/c1-7-4-3-5-9(6-7)13-10(12)8(2)11/h3-6,8H,1-2H3
InChIKey PAAIIYQEPLSEAS-UHFFFAOYSA-N
Molecular Weight 198.649 g/mol
SMILES C(Oc1cc(C)ccc1)(=O)C(Cl)C
SPLASH splash10-0a4i-0900000000-5929f0ecdb4406b24c92
Source of Spectrum AN-100-544-57
Wiley ID 747189