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4,6-Dimethyl-2.beta.-cyano-8-oxo-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
SpectraBase Compound ID ATQrnDXDqVH
InChI InChI=1S/C12H13NO4/c1-11-8-5(7(4-13)15-11)3-6-9(8)12(2,17-11)16-10(6)14/h5-9H,3H2,1-2H3/t5?,6?,7-,8?,9?,11?,12?/m1/s1
InChIKey UWPPFVYBGARWMQ-HJQPMQRHSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCotIuEn95R
Name 4,6-Dimethyl-2.beta.-cyano-8-oxo-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 C12H13NO4
InChI InChI=1S/C12H13NO4/c1-11-8-5(7(4-13)15-11)3-6-9(8)12(2,17-11)16-10(6)14/h5-9H,3H2,1-2H3/t5?,6?,7-,8?,9?,11?,12?/m1/s1
InChIKey UWPPFVYBGARWMQ-HJQPMQRHSA-N
Molecular Weight 235.239 g/mol
SMILES C12(C3C4C(CC3C(O1)=O)[C@](OC4(O2)C)(C#N)[H])C
SPLASH splash10-0006-0930000000-447136a90a70b310db6c
Source of Spectrum QA-44-74-8
Synonyms (2S)-5a,6a-dimethyl-4-oxooctahydro-2H-1,5,6-trioxadicyclopenta[cd,gh]pentalene-2-carbonitrile
Wiley ID 862407