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3-Methyl-1,1-diphenoxybutan-2-one
SpectraBase Compound ID J1gCmESNYmr
InChI InChI=1S/C17H18O3/c1-13(2)16(18)17(19-14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-13,17H,1-2H3
InChIKey DOJZXGSIRMOJOZ-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 JX0eFopdJkI
Name 3-Methyl-1,1-diphenoxybutan-2-one
Appearance Pale yellow oil
Carrier Gas Helium (0.7 mL/min)
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Exact Mass 270.125594437 u
Formula C17H18O3
GC Column (60 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C17H18O3/c1-13(2)16(18)17(19-14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-13,17H,1-2H3
InChIKey DOJZXGSIRMOJOZ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.44
Quality 340
SMILES C(C(OC=1C=CC=CC1)OC1=CC=CC=C1)(=O)C(C)C
SPLASH splash10-0ufs-9610000000-e4c4ccf3be3a15f0d6c0
Source of Spectrum BJO-18-SM7-5a (DOI: 10.3762/bjoc.18.44)
Wiley ID 1901284