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2,4,6-Cyclooctatrien-1-one, 8-(4-iodobutyl)-
SpectraBase Compound ID 5WKpS2OdmXf
InChI InChI=1S/C12H15IO/c13-10-6-5-8-11-7-3-1-2-4-9-12(11)14/h1-4,7,9,11H,5-6,8,10H2/b2-1-,7-3-,9-4-
InChIKey GBVXMLWWTMQUCO-QKDRUMMYSA-N
Mol Weight 302.16 g/mol
Molecular Formula C12H15IO
Exact Mass 302.01676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qSv1DcA5FC
Name 2,4,6-Cyclooctatrien-1-one, 8-(4-iodobutyl)-
CAS Registry Number 75646-52-5
Comments Less than 3 mono-isotopic peaks
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Formula C12H15IO
InChI InChI=1S/C12H15IO/c13-10-6-5-8-11-7-3-1-2-4-9-12(11)14/h1-4,7,9,11H,5-6,8,10H2/b2-1-,7-3-,9-4-
InChIKey GBVXMLWWTMQUCO-QKDRUMMYSA-N
Molecular Weight 302.155 g/mol
SMILES C1(\C=C/C=C\C=C/C1CCCCI)=O
SPLASH splash10-0a4i-9003000000-0ba10568bbd097aedf03
Source of Spectrum B-33-1586-0
Synonyms 4-(2'-Oxocycloocta-3',5',7'-trienyl)butyl iodide 8-(4-iodobutyl)-2,4,6-cyclooctatrien-1-one
Wiley ID 1304235