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Oxacycloundecan-2-one, 9-iodo-11-phenyl-, (9R*,11R*)-
SpectraBase Compound ID LuPqPYYLPCc
InChI InChI=1S/C16H21IO2/c17-14-10-6-1-2-7-11-16(18)19-15(12-14)13-8-4-3-5-9-13/h3-5,8-9,14-15H,1-2,6-7,10-12H2
InChIKey LQXDWJXCASKPLY-UHFFFAOYSA-N
Mol Weight 372.25 g/mol
Molecular Formula C16H21IO2
Exact Mass 372.058625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4JBOBIGQXT
Name Oxacycloundecan-2-one, 9-iodo-11-phenyl-, (9R*,11R*)-
CAS Registry Number 114784-00-8
Comments Less than 3 mono-isotopic peaks
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Formula C16H21IO2
InChI InChI=1S/C16H21IO2/c17-14-10-6-1-2-7-11-16(18)19-15(12-14)13-8-4-3-5-9-13/h3-5,8-9,14-15H,1-2,6-7,10-12H2
InChIKey LQXDWJXCASKPLY-UHFFFAOYSA-N
Molecular Weight 372.246 g/mol
SMILES C1(OC(CCCCCCC(C1)I)=O)c1ccccc1
SPLASH splash10-014i-0930000000-281f22a89bdae9edceb7
Source of Spectrum F-43-3383-32
Synonyms 4-iodo-2-phenyl-1-oxacycloundeca-11-one 9-iodo-11-phenyloxacycloundecan-2-one
Wiley ID 1355249