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5-(2'-Methoxyphenyl)pent-4-ynoic acid - Methyl ester
SpectraBase Compound ID HjVzVsDV0XF
InChI InChI=1S/C13H14O3/c1-15-12-9-5-3-7-11(12)8-4-6-10-13(14)16-2/h3,5,7,9H,6,10H2,1-2H3
InChIKey NRIUNUFAEQBECI-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeG8S4p2G7P
Name 5-(2'-Methoxyphenyl)pent-4-ynoic acid - Methyl ester
Alternate Name(s) Methyl 5-(2-methoxyphenyl)pent-4-ynoate
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Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-15-12-9-5-3-7-11(12)8-4-6-10-13(14)16-2/h3,5,7,9H,6,10H2,1-2H3
InChIKey NRIUNUFAEQBECI-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C(#CCCC(=O)OC)c1c(OC)cccc1
SPLASH splash10-0gbc-0930000000-7e663af3485e38825646
Source of Spectrum F5-6-2976-5f
Wiley ID 1733529