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Methyl 2-methyl-3-phenylpropanoate
SpectraBase Compound ID 3csVEQBMpM1
InChI InChI=1S/C11H14O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey ZQDZXEFWUCNPMG-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcIFDX9NFXR
Name methyl 2-methyl-3-phenyl-propanoate
Carrier Gas Helium (1 ml/min)
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Exact Mass 178.099379689 u
Formula C11H14O2
GC Column Restek Rtx-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 220oC
InChI InChI=1S/C11H14O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey ZQDZXEFWUCNPMG-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Thermo Scientific DSQII single quadrupole
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200313
Molecular Weight 178.231 g/mol
Quality 194
SMILES C1=C(C=CC=C1)CC(C)C(OC)=O
SPLASH splash10-00kf-9700000000-a6c95f23fd5d8b3e0164
Source of Spectrum QE-28-SM6-16-E (DOI: 10.1002/chem.202200313)
Wiley ID 1900403