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Methyl 4-(1,1-Dimethyl-2-propynyloxy)benzoate
SpectraBase Compound ID 2Jaz9TJHAZa
InChI InChI=1S/C13H14O3/c1-5-13(2,3)16-11-8-6-10(7-9-11)12(14)15-4/h1,6-9H,2-4H3
InChIKey BBRYCTNWHJLNDU-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 Ia16fCbXigc
Name Methyl 4-(1,1-Dimethyl-2-propynyloxy)benzoate
Appearance crystals
Carrier Gas Helium
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Formula C13H14O3
GC Oven Program Oven temp 300oC
InChI InChI=1S/C13H14O3/c1-5-13(2,3)16-11-8-6-10(7-9-11)12(14)15-4/h1,6-9H,2-4H3
InChIKey BBRYCTNWHJLNDU-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5890 Series II-5971
Ionization Type EI
Literature Reference DOI 10.1021/np020415t
Molecular Weight 218.252 g/mol
Reported Formula C13H14O3
SMILES COC(c1ccc(cc1)OC(C)(C)C#C)=O
SPLASH splash10-0uk9-0930000000-e5e6028a599a36d8fafe
Source of Spectrum G4-66-174-18
Wiley ID 1881238