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7-Butyl-2-(2,4,6-cycloheptatrienyl)-tropone
SpectraBase Compound ID CgCCOFPXOft
InChI InChI=1S/C18H20O/c1-2-3-10-16-13-8-9-14-17(18(16)19)15-11-6-4-5-7-12-15/h4-9,11-15H,2-3,10H2,1H3
InChIKey RGBZJIGIGAXNRL-UHFFFAOYSA-N
Mol Weight 252.36 g/mol
Molecular Formula C18H20O
Exact Mass 252.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Z5lqbJXGUh
Name 2,4,6-Cycloheptatrien-1-one, 2-butyl-7-(2,4,6-cycloheptatrien-1-yl)-
CAS Registry Number 128456-72-4
Comments Less than 3 mono-isotopic peaks
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Formula C18H20O
InChI InChI=1S/C18H20O/c1-2-3-10-16-13-8-9-14-17(18(16)19)15-11-6-4-5-7-12-15/h4-9,11-15H,2-3,10H2,1H3
InChIKey RGBZJIGIGAXNRL-UHFFFAOYSA-N
Molecular Weight 252.357 g/mol
SMILES C=1(C(C(=CC=CC1)CCCC)=O)C1C=CC=CC=C1
SPLASH splash10-0006-9010000000-d1d4fb470a5675f291eb
Source of Spectrum KC-1990-845-29
Synonyms 2-(2,4,6-Cycloheptatrienyl)-7-butyltropone 2-butyl-7-(cyclohepta-2,4,6-trien-1-yl)cyclohepta-2,4,6-trien-1-one
Wiley ID 1256385