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(2E,4Z,10Z,12E)-5,10-ditert-butyl-1-cyclotrideca-2,4,10,12-tetraen-6,8-diynone
SpectraBase Compound ID JBh9mxfQ11m
InChI InChI=1S/C21H24O/c1-20(2,3)17-11-7-8-12-18(21(4,5)6)14-10-16-19(22)15-9-13-17/h9-10,13-16H,1-6H3/b15-9+,16-10+,17-13+,18-14+
InChIKey HAVNUEHYOVITBR-CPLXGOCESA-N
Mol Weight 292.42 g/mol
Molecular Formula C21H24O
Exact Mass 292.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dQg5cXOm8k
Name (2E,4Z,10Z,12E)-5,10-ditert-butyl-1-cyclotrideca-2,4,10,12-tetraen-6,8-diynone
Alternate Name(s) (2E,4Z,10Z,12E)-5,10-ditert-butylcyclotrideca-2,4,10,12-tetraen-6,8-diyn-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H24O
InChI InChI=1S/C21H24O/c1-20(2,3)17-11-7-8-12-18(21(4,5)6)14-10-16-19(22)15-9-13-17/h9-10,13-16H,1-6H3/b15-9+,16-10+,17-13+,18-14+
InChIKey HAVNUEHYOVITBR-CPLXGOCESA-N
Molecular Weight 292.422 g/mol
SMILES C#1\C(=C/C=C/C(\C=C\C=C/(C#CC1)C(C)(C)C)=O)C(C)(C)C
SPLASH splash10-0a4i-9010000000-b5e0677278aaa0dd03b0
Source of Spectrum AJ-71-229-10
Wiley ID 774365