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(1R*,5S*,7R*)-7-ETHOXY-5-METHYL-8-OXABICYClO-[3.2.1]-OCTAN-2-YLIDENEMALONONITRILE
SpectraBase Compound ID 8eLINibOFgE
InChI InChI=1S/C13H16N2O2/c1-3-16-11-6-13(2)5-4-10(12(11)17-13)9(7-14)8-15/h11-12H,3-6H2,1-2H3/t11-,12-,13+/m1/s1
InChIKey AWLWNEGELFFOQD-UPJWGTAASA-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 DwfdFN9yPwU
Name 2-[(1R,5S,7R)-7-ethoxy-5-methyl-8-oxabicyclo[3.2.1]octan-2-ylidene]malononitrile
Alternate Name(s) 2-[(1R,5S,7R)-7-ethoxy-5-methyl-8-oxabicyclo[3.2.1]octan-2-ylidene]propanedinitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-3-16-11-6-13(2)5-4-10(12(11)17-13)9(7-14)8-15/h11-12H,3-6H2,1-2H3/t11-,12-,13+/m1/s1
InChIKey AWLWNEGELFFOQD-UPJWGTAASA-N
Molecular Weight 232.283 g/mol
SMILES C1([C@]2(O[C@](CC1)(C)C[C@]2(OCC)[H])[H])=C(C#N)C#N
SPLASH splash10-03di-0900000000-23b269019df7da05c3dc
Source of Spectrum KC-0-317-15
Wiley ID 824235