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3-Methyl-1,1-bis(p-tolyloxy)butan-2-one
SpectraBase Compound ID CXKcXFrZAnq
InChI InChI=1S/C19H22O3/c1-13(2)18(20)19(21-16-9-5-14(3)6-10-16)22-17-11-7-15(4)8-12-17/h5-13,19H,1-4H3
InChIKey VOYJFBBNEMGIIC-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93IaLz6QzwA
Name 3-Methyl-1,1-bis(p-tolyloxy)butan-2-one
Appearance Pale yellow oil
Carrier Gas Helium (0.7 mL/min)
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Exact Mass 298.156894565 u
Formula C19H22O3
GC Column (60 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C19H22O3/c1-13(2)18(20)19(21-16-9-5-14(3)6-10-16)22-17-11-7-15(4)8-12-17/h5-13,19H,1-4H3
InChIKey VOYJFBBNEMGIIC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.44
Quality 356
SMILES C(C(=O)C(OC1=CC=C(C=C1)C)OC1=CC=C(C=C1)C)(C)C
SPLASH splash10-056u-9650000000-e473504b6f101dacca60
Source of Spectrum BJO-18-SM8-5d (DOI: 10.3762/bjoc.18.44)
Wiley ID 1901287