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(Z)-5-methyl-7-(2-phenylethynyl)-6-undecen-3-one
SpectraBase Compound ID 8woQT9y1cXW
InChI InChI=1S/C20H26O/c1-4-6-10-19(15-17(3)16-20(21)5-2)14-13-18-11-8-7-9-12-18/h7-9,11-12,15,17H,4-6,10,16H2,1-3H3/b19-15-
InChIKey RFZGXGZRBOKBFY-CYVLTUHYSA-N
Mol Weight 282.43 g/mol
Molecular Formula C20H26O
Exact Mass 282.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvV9Q9k2Ezo
Name (Z)-5-methyl-7-(2-phenylethynyl)-6-undecen-3-one
Alternate Name(s) (Z)-5-methyl-7-(2-phenylethynyl)undec-6-en-3-one (Z)-7-butyl-5-methyl-9-phenyl-non-6-en-8-yn-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C20H26O
InChI InChI=1S/C20H26O/c1-4-6-10-19(15-17(3)16-20(21)5-2)14-13-18-11-8-7-9-12-18/h7-9,11-12,15,17H,4-6,10,16H2,1-3H3/b19-15-
InChIKey RFZGXGZRBOKBFY-CYVLTUHYSA-N
Molecular Weight 282.427 g/mol
SMILES C(#Cc1ccccc1)\C(=C/C(CC(=O)CC)C)CCCC
SPLASH splash10-004i-0090000000-02646e9ab974af566ccc
Source of Spectrum J-61-8255-7
Wiley ID 1286516