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1-(4-methoxyphenyl)propan-2-yl benzoate
SpectraBase Compound ID DHqttf7jaGH
InChI InChI=1S/C17H18O3/c1-13(12-14-8-10-16(19-2)11-9-14)20-17(18)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKey QFDUGRFGHDSYKG-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcNgsIDLebP
Name 1-(4-methoxyphenyl)propan-2-yl benzoate
Appearance Colorless oil
Carrier Gas Methane
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Exact Mass 270.125594437 u
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-13(12-14-8-10-16(19-2)11-9-14)20-17(18)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKey QFDUGRFGHDSYKG-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202201761
Quality 138
Reported Formula C17H18O3
SMILES COC1=CC=C(C=C1)CC(C)OC(C1=CC=CC=C1)=O
SPLASH splash10-05bb-4900000000-dbc140676ce6ae7d5909
Source of Spectrum QE-28-SM35-7d (DOI: 10.1002/chem.202201761)
Thin-Layer Chromatography 0.34 (n-pentane/EtOAc, 20:1)
Wiley ID 1900713