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6-Iodo-7-phenylbicyclo[3.1.1]heptane-6,7-carbolactone
SpectraBase Compound ID Gw5Dk9ZtLeT
InChI InChI=1S/C14H13IO2/c15-13-10-7-4-8-11(13)14(10,17-12(13)16)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/t10-,11+,13+,14+
InChIKey NHYOBHDIGVQKCF-OGCHZXDESA-N
Mol Weight 340.16 g/mol
Molecular Formula C14H13IO2
Exact Mass 339.996025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3PgHUOj8QL
Name 6-Iodo-7-phenylbicyclo[3.1.1]heptane-6,7-carbolactone
Alternate Name(s) 1-iodo-7-phenyl-8-oxatricyclo[4.3.0.0(2,7)]nonan-9-one
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Formula C14H13IO2
InChI InChI=1S/C14H13IO2/c15-13-10-7-4-8-11(13)14(10,17-12(13)16)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2/t10-,11+,13+,14+
InChIKey NHYOBHDIGVQKCF-OGCHZXDESA-N
Molecular Weight 340.160 g/mol
SMILES [C@]12([C@@]3(CCC[C@]2([C@]3(I)C(O1)=O)[H])[H])c1ccccc1
SPLASH splash10-0a4i-5930000000-a1f11145933ad7948314
Source of Spectrum O1-28-2010-4
Wiley ID 818320