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2-((3R,3aR,5aR,9aR,9bR)-7-Methoxy-3,3a,6,6,9a-pentamethyl-dodecahydro-cyclopenta[a]naphthalen-3-yl)-malononitrile
SpectraBase Compound ID 230vokSoRfR
InChI InChI=1S/C22H34N2O/c1-19(2)16-7-12-22(5)17(20(16,3)10-9-18(19)25-6)8-11-21(22,4)15(13-23)14-24/h15-18H,7-12H2,1-6H3/t16-,17+,18?,20-,21+,22+/m0/s1
InChIKey KJXKWMMNQVPFRQ-RFCUYIIMSA-N
Mol Weight 342.5 g/mol
Molecular Formula C22H34N2O
Exact Mass 342.267114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOebCddqzbR
Name 2-((3R,3aR,5aR,9aR,9bR)-7-Methoxy-3,3a,6,6,9a-pentamethyl-dodecahydro-cyclopenta[a]naphthalen-3-yl)-malononitrile
Alternate Name(s) 2-(7-Methoxy-3.alpha.,3a,6,6,9a-pentamethyldodecahydro-1H-cyclopenta[a]naphthalen-1-yl)malonitrile 2-[(3R,3aR,5aR,9aR,9bR)-7-methoxy-3,3a,6,6,9a-pentamethyldodecahydro-1H-cyclopenta[a]naphthalen-3-yl]malononitrile
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Formula C22H34N2O
InChI InChI=1S/C22H34N2O/c1-19(2)16-7-12-22(5)17(20(16,3)10-9-18(19)25-6)8-11-21(22,4)15(13-23)14-24/h15-18H,7-12H2,1-6H3/t16-,17+,18?,20-,21+,22+/m0/s1
InChIKey KJXKWMMNQVPFRQ-RFCUYIIMSA-N
Molecular Weight 342.527 g/mol
SMILES [C@]12([C@@]([C@]3(CCC(C([C@@]3(CC2)[H])(C)C)OC)C)(CC[C@@]1(C(C#N)C#N)C)[H])C
SPLASH splash10-05di-1493000000-7d084c5015c93b399ffe
Source of Spectrum K1-2004-3690-15
Wiley ID 1561399