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(1S,3aS,4R,6R,6aR,9aR,9bS)-6-(2-Cyano-2,2-dimethyl-ethyl)-1,4-dimethyl-7-methylene-dodecahydro-phenalene-1-carbonitrile
SpectraBase Compound ID 54xuowwacoN
InChI InChI=1S/C22H32N2/c1-14-6-7-18-20-17(8-9-22(18,5)13-24)15(2)10-16(19(14)20)11-21(3,4)12-23/h15-20H,1,6-11H2,2-5H3/t15-,16-,17+,18-,19-,20+,22-/m1/s1
InChIKey ULWMQDBSMSGCTC-PFOGKZASSA-N
Mol Weight 324.5 g/mol
Molecular Formula C22H32N2
Exact Mass 324.256549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwGkkPAiWcf
Name (1S,3aS,4R,6R,6aR,9aR,9bS)-6-(2-Cyano-2,2-dimethyl-ethyl)-1,4-dimethyl-7-methylene-dodecahydro-phenalene-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2
InChI InChI=1S/C22H32N2/c1-14-6-7-18-20-17(8-9-22(18,5)13-24)15(2)10-16(19(14)20)11-21(3,4)12-23/h15-20H,1,6-11H2,2-5H3/t15-,16-,17+,18-,19-,20+,22-/m1/s1
InChIKey ULWMQDBSMSGCTC-PFOGKZASSA-N
Molecular Weight 324.512 g/mol
SMILES [C@]12([C@]3([C@@](CC(C#N)(C)C)(C[C@]([C@@]2(CC[C@@]([C@@]1(CCC3=C)[H])(C#N)C)[H])(C)[H])[H])[H])[H]
SPLASH splash10-0ae1-0792000000-9b69e0a907daa643187d
Source of Spectrum F-55-12636-5
Synonyms (1S,3aS,4R,6R,6aR,9aR,9bS)-6-(2-cyano-2-methylpropyl)-1,4-dimethyl-7-methylenedodecahydro-1H-phenalene-1-carbonitrile 6-Cyano-1-(2-methyl-2-cyanopropyl)-3,6-dimethyl-9-methyleneperhydrophenalene 7-Cyano-1-(2-methyl-2-cyanopropyl)-3,7-dimethyl-11-methyleneperhydrophenalene
Wiley ID 839592