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Methyl 2-acetyl-6-oxo-6-phenylhexanoate
SpectraBase Compound ID 5UV99zVCgLJ
InChI InChI=1S/C15H18O4/c1-11(16)13(15(18)19-2)9-6-10-14(17)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10H2,1-2H3
InChIKey DTDMVIUFHTXGRK-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBodQuShdJ3
Name Methyl 2-acetyl-6-oxo-6-phenylhexanoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-11(16)13(15(18)19-2)9-6-10-14(17)12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-10H2,1-2H3
InChIKey DTDMVIUFHTXGRK-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/cctc.201901602
Molecular Weight 262.305 g/mol
Reported Formula C15H18O4
SMILES CC(=O)C(CCCC(c1ccccc1)=O)C(OC)=O
SPLASH splash10-0a4i-0900000000-436f1537e69403884664
Source of Spectrum CCC-11-SM6-2d
Thin-Layer Chromatography Rf = 0.18 (c-Hex/EtOAc, 4:1)
Wiley ID 1836961