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2H-Pentaleno[1,6-bc]furan-4,5-dipropanenitrile, octahydro-2-methoxy-, (2.alpha.,2a.alpha.,4.alpha.,4a.alpha.,5.alpha.,6a.alpha.,6b.alpha.)-

View entire compound with spectra: 1 MS (GC)

2H-Pentaleno[1,6-bc]furan-4,5-dipropanenitrile, octahydro-2-methoxy-, (2.alpha.,2a.alpha.,4.alpha.,4a.alpha.,5.alpha.,6a.alpha.,6b.alpha.)-
SpectraBase Compound ID 69Dsyjjju3H
InChI InChI=1S/C16H22N2O2/c1-19-16-12-8-10(4-2-6-17)14-11(5-3-7-18)9-13(20-16)15(12)14/h10-16H,2-5,8-9H2,1H3/t10-,11+,12-,13+,14-,15+,16-/m1/s1
InChIKey RIZOCJVGGAEDPL-IZNMMPHHSA-N
Mol Weight 274.36 g/mol
Molecular Formula C16H22N2O2
Exact Mass 274.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AccMoNNTrzV
Name 2H-Pentaleno[1,6-bc]furan-4,5-dipropanenitrile, octahydro-2-methoxy-, (2.alpha.,2a.alpha.,4.alpha.,4a.alpha.,5.alpha.,6a.alpha.,6b.alpha.)-
Alternate Name(s) 3-[(2R,2aR,4R,4aR,5S,6aS,6bS)-4-(2-cyanoethyl)-2-methoxyoctahydro-2H-pentaleno[1,6-bc]furan-5-yl]propanenitrile 9-exo-methoxy-8-oxatricyclo[5.2.1.0(4,10)]decan-3-exo-,5-exo-dipropiononitrile
CAS Registry Number 95971-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O2
InChI InChI=1S/C16H22N2O2/c1-19-16-12-8-10(4-2-6-17)14-11(5-3-7-18)9-13(20-16)15(12)14/h10-16H,2-5,8-9H2,1H3/t10-,11+,12-,13+,14-,15+,16-/m1/s1
InChIKey RIZOCJVGGAEDPL-IZNMMPHHSA-N
Molecular Weight 274.364 g/mol
SMILES [C@]12([C@@]3([C@](OC)(O[C@]2(C[C@@]([C@]1([C@](CCC#N)(C3)[H])[H])(CCC#N)[H])[H])[H])[H])[H]
SPLASH splash10-00bc-9610000000-41912d09329e2d7d72c3
Source of Spectrum H-67-2244-0
Wiley ID 1278305