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3-tert-Butyl-4-methoxyphenyl acetate
SpectraBase Compound ID 2vQZhmVkJqv
InChI InChI=1S/C13H18O3/c1-9(14)16-10-6-7-12(15-5)11(8-10)13(2,3)4/h6-8H,1-5H3
InChIKey GMSYMSGYDWUOGM-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87GeI9meFMg
Name 3-tert-Butyl-4-methoxyphenyl acetate
Comments Note: The molecular formula of the structure shown is C13H18O3 - which differs from the formula reported for the mass spectrum (C13H16D2O3)
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Formula C13H16D2O3
InChI InChI=1S/C13H18O3/c1-9(14)16-10-6-7-12(15-5)11(8-10)13(2,3)4/h6-8H,1-5H3
InChIKey GMSYMSGYDWUOGM-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES c1cc(cc(c1OC)C(C)(C)C)OC(=O)C
SPLASH splash10-0159-1900000000-908b71bae0ccd68ccd18
Synonyms Acetic acid (3-tert-butyl-4-methoxyphenyl) ester (3-tert-butyl-4-methoxyphenyl) acetate (3-tert-butyl-4-methoxy-phenyl) acetate (3-tert-butyl-4-methoxy-phenyl) ethanoate
Wiley ID 1484811