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rel-(1R,5R,7S)-Methyl 2-dicyanomethylidene-8-oxabicyclo[3.2.1]octane-7-carboxylate
SpectraBase Compound ID 9XVKZGelYCU
InChI InChI=1S/C12H12N2O3/c1-16-12(15)10-4-8-2-3-9(11(10)17-8)7(5-13)6-14/h8,10-11H,2-4H2,1H3/t8-,10+,11+/m1/s1
InChIKey CDXUPKDCKJDCTH-MIMYLULJSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChTUlsQu7vD
Name rel-(1R,5R,7S)-Methyl 2-dicyanomethylidene-8-oxabicyclo[3.2.1]octane-7-carboxylate
Alternate Name(s) Methyl (1R,5R,6S)-4-(dicyanomethylene)-8-oxabicyclo[3.2.1]octane-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c1-16-12(15)10-4-8-2-3-9(11(10)17-8)7(5-13)6-14/h8,10-11H,2-4H2,1H3/t8-,10+,11+/m1/s1
InChIKey CDXUPKDCKJDCTH-MIMYLULJSA-N
Molecular Weight 232.239 g/mol
SMILES [C@]12([C@@](C(=O)OC)(C[C@](O2)(CCC1=C(C#N)C#N)[H])[H])[H]
SPLASH splash10-0fkc-0950000000-5632c0104056c65570f7
Source of Spectrum H1-51-2154-17
Wiley ID 817258