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2-[2-(4-chlorophenyl)ethyl]pentanoic acid methyl ester
SpectraBase Compound ID 2Ryr8Sp5Lqi
InChI InChI=1S/C14H19ClO2/c1-3-4-12(14(16)17-2)8-5-11-6-9-13(15)10-7-11/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKey ZAESAMFHIDRVTD-UHFFFAOYSA-N
Mol Weight 254.76 g/mol
Molecular Formula C14H19ClO2
Exact Mass 254.107358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITRKRQ3qMeF
Name 2-[2-(4-chlorophenyl)ethyl]pentanoic acid methyl ester
Alternate Name(s) 2-[2-(4-chlorophenyl)ethyl]valeric acid methyl ester Methyl 2-[2-(4-chlorophenyl)ethyl]pentanoate
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Formula C14H19ClO2
InChI InChI=1S/C14H19ClO2/c1-3-4-12(14(16)17-2)8-5-11-6-9-13(15)10-7-11/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKey ZAESAMFHIDRVTD-UHFFFAOYSA-N
Molecular Weight 254.757 g/mol
SMILES C(=O)(C(CCc1ccc(cc1)Cl)CCC)OC
SPLASH splash10-00kr-7900000000-3a2d0793cb758cf0554b
Source of Spectrum J-63-8592-7
Wiley ID 1257634