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2-[(3R,3aR,5aR,7S,9aR,9bR)-7-methoxy-3,3a,6,6,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benz[e]inden-3-yl]malononitrile

View entire compound with spectra: 1 MS (GC)

2-[(3R,3aR,5aR,7S,9aR,9bR)-7-methoxy-3,3a,6,6,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benz[e]inden-3-yl]malononitrile
SpectraBase Compound ID FFxCmF3FGyU
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-JPKYEYPISA-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 KuSHR2V9MaO
Name 2-[(3R,3aR,5aR,7S,9aR,9bR)-7-methoxy-3,3a,6,6,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benz[e]inden-3-yl]malononitrile
Alternate Name(s) 2-[(3R,3aR,5aR,7S,9aR,9bR)-7-methoxy-3,3a,6,6,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]propanedinitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-JPKYEYPISA-N
Molecular Weight 342.527 g/mol
SMILES [C@]12([C@@]([C@]3(CC[C@@](C([C@@]3(CC2)[H])(C)C)(OC)[H])C)(CC[C@@]1(C(C#N)C#N)C)[H])C
SPLASH splash10-05i0-3392000000-9e42fcea6ac1b237113f
Source of Spectrum K1-2004-3690-15
Wiley ID 1561400