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1-Propen-1-ol, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-, acetate
SpectraBase Compound ID BcbZPLwHhmw
InChI InChI=1S/C16H22O2/c1-12(11-18-13(2)17)10-14-6-8-15(9-7-14)16(3,4)5/h6-9,11H,10H2,1-5H3/b12-11+
InChIKey DFFGXGLKNGYGOY-VAWYXSNFSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 934Ugq3KdM1
Name 1-Propen-1-ol, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-, acetate
Comments Edited after expert review for air contamination - Original record with SpectrumID 1472197 moved to the Legacy library
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Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-12(11-18-13(2)17)10-14-6-8-15(9-7-14)16(3,4)5/h6-9,11H,10H2,1-5H3/b12-11+
InChIKey DFFGXGLKNGYGOY-VAWYXSNFSA-N
Molecular Weight 246.350 g/mol
SMILES c1(ccc(cc1)C\C(C)=C\OC(=O)C)C(C)(C)C
SPLASH splash10-0006-9930000000-c06ecbeec50bca2e0c16
Synonyms (1E)-3-(4-tert-butylphenyl)-2-methyl-1-propenyl acetate 3-(4-tert-butylphenyl)-2-methyl-1-propenyl acetate Acetic acid [(E)-3-(4-tert-butylphenyl)-2-methylprop-1-enyl] ester [(E)-3-(4-tert-butylphenyl)-2-methylprop-1-enyl] acetate [(E)-3-(4-tert-butylphenyl)-2-methyl-prop-1-enyl] acetate [(E)-3-(4-tert-butylphenyl)-2-methyl-prop-1-enyl] ethanoate
Wiley ID 1820794