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6-Chloro-7-phenylbicyclo[3.1.1]heptane-6,7-carbolactone
SpectraBase Compound ID BwoPSiPKUAM
InChI InChI=1S/C14H13ClO2/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 MARLZNIGHGTHNQ-WHCAJBEMSA-N
Mol Weight 248.71 g/mol
Molecular Formula C14H13ClO2
Exact Mass 248.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RybPL2tAb8
Name 6-Chloro-7-phenylbicyclo[3.1.1]heptane-6,7-carbolactone
Alternate Name(s) 1-Chloro-7-phenyl-8-oxatricyclo[4.3.0.0(2,7)]nonan-9-one
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Formula C14H13ClO2
InChI InChI=1S/C14H13ClO2/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 MARLZNIGHGTHNQ-WHCAJBEMSA-N
Molecular Weight 248.709 g/mol
SMILES C12([C@@]3(CCC[C@]2(C3(Cl)C(O1)=O)[H])[H])c1ccccc1
SPLASH splash10-0bt9-4940000000-41772f4eda3d4419f97e
Source of Spectrum O1-28-2010-4
Wiley ID 818321