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1-(Bicyclo[1.1.1]pentan-1-yl)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one
SpectraBase Compound ID 6wA9Kn2vOQ9
InChI InChI=1S/C18H28O/c1-13-5-4-8-17(2,3)16(13)7-6-15(19)12-18-9-14(10-18)11-18/h14H,4-12H2,1-3H3
InChIKey ZBJBZTMIFILNAW-UHFFFAOYSA-N
Mol Weight 260.42 g/mol
Molecular Formula C18H28O
Exact Mass 260.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHogaMOgOgv
Name 1-(Bicyclo[1.1.1]pentan-1-yl)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one
Appearance Colorless liquid
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Formula C18H28O
InChI InChI=1S/C18H28O/c1-13-5-4-8-17(2,3)16(13)7-6-15(19)12-18-9-14(10-18)11-18/h14H,4-12H2,1-3H3
InChIKey ZBJBZTMIFILNAW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202009340
Molecular Weight 260.421 g/mol
Reported Formula C18H28O
SMILES C1C(C)(C)C(CCC(=O)CC23CC(C3)C2)=C(CC1)C
SPLASH splash10-00dr-1910000000-dcb0a19e6207d4ad8e47
Source of Spectrum ACI-59-SM35-14g
Wiley ID 1858367