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3-(2,2-Dimethylpent-4-en-1-yl)cyclohex-2-en-1-one
SpectraBase Compound ID 2O2CbZOYLLv
InChI InChI=1S/C13H20O/c1-4-8-13(2,3)10-11-6-5-7-12(14)9-11/h4,9H,1,5-8,10H2,2-3H3
InChIKey LHJJDJNKERWVAS-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B068tMuKoZe
Name 3-(2,2-Dimethylpent-4-en-1-yl)cyclohex-2-en-1-one
Appearance Colorless oil
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Formula C13H20O
InChI InChI=1S/C13H20O/c1-4-8-13(2,3)10-11-6-5-7-12(14)9-11/h4,9H,1,5-8,10H2,2-3H3
InChIKey LHJJDJNKERWVAS-UHFFFAOYSA-N
Instrument Name Agilent MS5977A MSD-Agilent 7890 B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201700837
Molecular Weight 192.302 g/mol
Quality 199
Reported Formula C13H20O
SMILES C(CC1=CC(CCC1)=O)(CC=C)(C)C
SPLASH splash10-03di-3900000000-48159284facb34105818
Source of Spectrum ACI-56-SM12-9c (DOI: 10.1002/anie.201700837)
Thin-Layer Chromatography 0.33 (P/Et2O, 4:1) [UV/KMnO4]
Wiley ID 1895704