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2-(3-Allylbicyclo[1.1.1]pentan-1-yl)-2-methyl-1-phenylpropan-1-one
SpectraBase Compound ID HQa4GZMuaXu
InChI InChI=1S/C18H22O/c1-4-10-17-11-18(12-17,13-17)16(2,3)15(19)14-8-6-5-7-9-14/h4-9H,1,10-13H2,2-3H3
InChIKey JVHMKMFUMRRPEL-UHFFFAOYSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sxCppR6dDu
Name 2-(3-Allylbicyclo[1.1.1]pentan-1-yl)-2-methyl-1-phenylpropan-1-one
Appearance Colorless liquid
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Formula C18H22O
InChI InChI=1S/C18H22O/c1-4-10-17-11-18(12-17,13-17)16(2,3)15(19)14-8-6-5-7-9-14/h4-9H,1,10-13H2,2-3H3
InChIKey JVHMKMFUMRRPEL-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202009340
Molecular Weight 254.373 g/mol
Reported Formula C18H22O
SMILES c1cc(C(C(C)(C)C23CC(C3)(C2)CC=C)=O)ccc1
SPLASH splash10-0a4i-3900000000-2de47c7955c26f5be94c
Source of Spectrum ACI-59-SM36-14h
Wiley ID 1858368