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1,3-Dimethyl-2,5-dioxotricyclo[4.3.1.0(3,7)]decan-8-carbonitrile
SpectraBase Compound ID Bc1wRslrWyK
InChI InChI=1S/C13H15NO2/c1-12-3-7(6-14)10-8(4-12)9(15)5-13(10,2)11(12)16/h7-8,10H,3-5H2,1-2H3/t7?,8-,10-,12+,13+/m0/s1
InChIKey GICJIEPQSGMZQD-UXIHUNDTSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HeGTN1xgYv
Name 1,3-Dimethyl-2,5-dioxotricyclo[4.3.1.0(3,7)]decan-8-carbonitrile
Alternate Name(s) 1,3-Dimethyl-2,5-dioxotricyclo[4.3.1.0(3,7)]decane-8-carbonitrile
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Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-12-3-7(6-14)10-8(4-12)9(15)5-13(10,2)11(12)16/h7-8,10H,3-5H2,1-2H3/t7?,8-,10-,12+,13+/m0/s1
InChIKey GICJIEPQSGMZQD-UXIHUNDTSA-N
Molecular Weight 217.268 g/mol
SMILES [C@]12([C@@]3([C@](C(C2)=O)(C[C@](C1=O)(CC3C#N)C)[H])[H])C
SPLASH splash10-014i-0940000000-a1bf915ef40ec72348d7
Source of Spectrum Y1-38-769-16
Wiley ID 1527791