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(1R,5S,6S,7S)-7-ETHOXY-6-METHYL-8-OXABICYCLO-[3.2.1]-OCTAN-2-YLIDENE-MALONO-NITRILE
SpectraBase Compound ID 2Tf0uKlSPMV
InChI InChI=1S/C13H16N2O2/c1-3-16-12-8(2)11-5-4-10(13(12)17-11)9(6-14)7-15/h8,11-13H,3-5H2,1-2H3/t8-,11-,12-,13+/m0/s1
InChIKey FRVRWLWXYFCYDR-ZBPZKIAKSA-N
Mol Weight 232.28 g/mol
Molecular Formula C13H16N2O2
Exact Mass 232.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ku8rzM8oRW8
Name 2-[(1S,5R,6S,7S)-6-ethoxy-7-methyl-8-oxabicyclo[3.2.1]octan-4-ylidene]malononitrile
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Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-3-16-12-8(2)11-5-4-10(13(12)17-11)9(6-14)7-15/h8,11-13H,3-5H2,1-2H3/t8-,11-,12-,13+/m0/s1
InChIKey FRVRWLWXYFCYDR-ZBPZKIAKSA-N
Molecular Weight 232.283 g/mol
SMILES [C@]12(O[C@]([H])([C@@]([C@@]2(OCC)[H])(C)[H])CCC1=C(C#N)C#N)[H]
SPLASH splash10-000t-6950000000-b977b1d24092c112b0a6
Source of Spectrum H1-51-2151-12
Synonyms 2-[(1S,5R,6S,7S)-6-ethoxy-7-methyl-8-oxabicyclo[3.2.1]octan-4-ylidene]propanedinitrile
Wiley ID 817266