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(3-(3,7-Dimethylocta-1,6-dien-3-yl)bicyclo[1.1.1]pentan-1-yl)(phenyl)methanone
SpectraBase Compound ID DNOIxqTASLQ
InChI InChI=1S/C22H28O/c1-5-20(4,13-9-10-17(2)3)22-14-21(15-22,16-22)19(23)18-11-7-6-8-12-18/h5-8,10-12H,1,9,13-16H2,2-4H3
InChIKey KUKSQBHUUBKELV-UHFFFAOYSA-N
Mol Weight 308.47 g/mol
Molecular Formula C22H28O
Exact Mass 308.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8qCL5mhEtH
Name (3-(3,7-Dimethylocta-1,6-dien-3-yl)bicyclo[1.1.1]pentan-1-yl)(phenyl)methanone
Appearance Colorless liquid
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Formula C22H28O
InChI InChI=1S/C22H28O/c1-5-20(4,13-9-10-17(2)3)22-14-21(15-22,16-22)19(23)18-11-7-6-8-12-18/h5-8,10-12H,1,9,13-16H2,2-4H3
InChIKey KUKSQBHUUBKELV-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202009340
Molecular Weight 308.465 g/mol
Reported Formula C22H28O
SMILES c1ccc(C(C23CC(C3)(C2)C(CCC=C(C)C)(C=C)C)=O)cc1
SPLASH splash10-0a4i-3900000000-9a282c2bf2af2275d60b
Source of Spectrum ACI-59-SM23-9l
Wiley ID 1858388