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2-[(2-bromanylcyclohepten-1-yl)methyl]-2-(3-oxidanylidenebutyl)cyclohexane-1,3-dione
SpectraBase Compound ID HnakeqffgdV
InChI InChI=1S/C18H25BrO3/c1-13(20)10-11-18(16(21)8-5-9-17(18)22)12-14-6-3-2-4-7-15(14)19/h2-12H2,1H3
InChIKey LBXHFKFKXYJUCG-UHFFFAOYSA-N
Mol Weight 369.3 g/mol
Molecular Formula C18H25BrO3
Exact Mass 368.098708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBJ756THXiD
Name 2-[(2-bromanylcyclohepten-1-yl)methyl]-2-(3-oxidanylidenebutyl)cyclohexane-1,3-dione
Alternate Name(s) 2-[(2-bromo-1-cycloheptenyl)methyl]-2-(3-oxobutyl)cyclohexane-1,3-dione 2-[(2-bromocyclohepten-1-yl)methyl]-2-(3-ketobutyl)cyclohexane-1,3-quinone 2-[(2-bromocyclohepten-1-yl)methyl]-2-(3-oxobutyl)cyclohexane-1,3-dione
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Formula C18H25BrO3
InChI InChI=1S/C18H25BrO3/c1-13(20)10-11-18(16(21)8-5-9-17(18)22)12-14-6-3-2-4-7-15(14)19/h2-12H2,1H3
InChIKey LBXHFKFKXYJUCG-UHFFFAOYSA-N
Molecular Weight 369.299 g/mol
SMILES C1(CC2=C(Br)CCCCC2)(C(=O)CCCC1=O)CCC(=O)C
SPLASH splash10-00vl-9200000000-66d7dce0a8353ba913f5
Source of Spectrum SK-24-285-5
Wiley ID 866069