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methyl 2-methyl-6-(3-oxo-3-phenylpropyl)benzoate
SpectraBase Compound ID 1XTio8sMiVR
InChI InChI=1S/C18H18O3/c1-13-7-6-10-15(17(13)18(20)21-2)11-12-16(19)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3
InChIKey SNGFKVKHFPXPGY-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pTNtneUbjw
Name methyl 2-methyl-6-(3-oxo-3-phenylpropyl)benzoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.125594437 u
Formula C18H18O3
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C18H18O3/c1-13-7-6-10-15(17(13)18(20)21-2)11-12-16(19)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3
InChIKey SNGFKVKHFPXPGY-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Quality 20
Reported Formula C18H18O3
SMILES COC(C1=C(C=CC=C1CCC(C1=CC=CC=C1)=O)C)=O
SPLASH splash10-0a4i-0900000000-817d3da89ab7f2b4f12b
Source of Spectrum QE-24-SM19-3ad (DOI: 10.1002/chem.201800757)
Wiley ID 1900130