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2-(5-Chloropent-1-ynyl)benzoic methyl ester
SpectraBase Compound ID 1Gn8cAEKfgB
InChI InChI=1S/C13H13ClO2/c1-16-13(15)12-9-5-4-8-11(12)7-3-2-6-10-14/h4-5,8-9H,2,6,10H2,1H3
InChIKey YNMZBIYWSZBUHT-UHFFFAOYSA-N
Mol Weight 236.7 g/mol
Molecular Formula C13H13ClO2
Exact Mass 236.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RUC446qwi2
Name 2-(5-Chloropent-1-ynyl)benzoic methyl ester
Alternate Name(s) Methyl 2-(5-chloro-1-pentynyl)benzoate
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Formula C13H13ClO2
InChI InChI=1S/C13H13ClO2/c1-16-13(15)12-9-5-4-8-11(12)7-3-2-6-10-14/h4-5,8-9H,2,6,10H2,1H3
InChIKey YNMZBIYWSZBUHT-UHFFFAOYSA-N
Molecular Weight 236.698 g/mol
SMILES C(c1c(C#CCCCCl)cccc1)(=O)OC
SPLASH splash10-00di-0900000000-366c8f77a7196f2160aa
Source of Spectrum QE-7-5310-66
Wiley ID 846253