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methyl 2-(3-methoxy-3-oxo-propyl)-6-phenyl-benzoate
SpectraBase Compound ID 5STug28MRR2
InChI InChI=1S/C18H18O4/c1-21-16(19)12-11-14-9-6-10-15(17(14)18(20)22-2)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKey ZSYRVHHZUJSRAR-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2XTeyFix22
Name methyl 2-(3-methoxy-3-oxo-propyl)-6-phenyl-benzoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C18H18O4/c1-21-16(19)12-11-14-9-6-10-15(17(14)18(20)22-2)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKey ZSYRVHHZUJSRAR-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Quality 10
Reported Formula C18H18O4
SMILES COC(C1=C(C=CC=C1C1=CC=CC=C1)CCC(=O)OC)=O
SPLASH splash10-0a4i-0090000000-08e73efae43d22e143cf
Source of Spectrum QE-24-SM23-3dm (DOI: 10.1002/chem.201800757)
Wiley ID 1900144