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2.beta.,8.beta.-Dicyano-4,6-dimethyl-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
SpectraBase Compound ID 583vZSXmrT4
InChI InChI=1S/C13H14N2O3/c1-12-10-6(8(4-14)16-12)3-7-9(5-15)17-13(2,18-12)11(7)10/h6-11H,3H2,1-2H3/t6?,7?,8-,9+,10?,11?,12?,13?
InChIKey AHTCBMOLXLQERP-YSZQQMTESA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrOlf5oVtNr
Name 2.beta.,8.beta.-Dicyano-4,6-dimethyl-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
Comments Less than 3 mono-isotopic peaks
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Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-12-10-6(8(4-14)16-12)3-7-9(5-15)17-13(2,18-12)11(7)10/h6-11H,3H2,1-2H3/t6?,7?,8-,9+,10?,11?,12?,13?
InChIKey AHTCBMOLXLQERP-YSZQQMTESA-N
Molecular Weight 246.266 g/mol
SMILES C12(C3C4C(CC3[C@](O1)(C#N)[H])[C@@](OC4(O2)C)(C#N)[H])C
SPLASH splash10-001i-0090000000-bdb15137844273a64949
Source of Spectrum J-62-3212-6
Synonyms (2R,4S)-5a,6a-dimethyloctahydro-2H-1,5,6-trioxadicyclopenta[cd,gh]pentalene-2,4-dicarbonitrile
Wiley ID 1248850