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methyl 2-methyl-6-(4-oxopentan-2-yl)benzoate
SpectraBase Compound ID 5tSyh1EYTQT
InChI InChI=1S/C14H18O3/c1-9-6-5-7-12(10(2)8-11(3)15)13(9)14(16)17-4/h5-7,10H,8H2,1-4H3
InChIKey XRQNAKCJRHVHLE-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 867ioBrpctR
Name methyl 2-methyl-6-(4-oxopentan-2-yl)benzoate
Appearance Colorless liquid
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Exact Mass 234.125594437 u
Formula C14H18O3
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C14H18O3/c1-9-6-5-7-12(10(2)8-11(3)15)13(9)14(16)17-4/h5-7,10H,8H2,1-4H3
InChIKey XRQNAKCJRHVHLE-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Molecular Weight 234.295 g/mol
Quality 6
Reported Formula C14H18O3
SMILES COC(C1=C(C=CC=C1C(C)CC(C)=O)C)=O
SPLASH splash10-0a4i-0900000000-1702ae36ef4fb6aaf046
Source of Spectrum QE-24-SM20-3ah (DOI: 10.1002/chem.201800757)
Wiley ID 1900134