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(1S,3aS,4R,6R,6aR,9aR,9bS)-6-(2-Isothiocyanato-2-methyl-propyl)-1,4-dimethyl-7-methylene-dodecahydro-phenalene-1-carbonitrile

View entire compound with spectra: 1 MS (GC)

(1S,3aS,4R,6R,6aR,9aR,9bS)-6-(2-Isothiocyanato-2-methyl-propyl)-1,4-dimethyl-7-methylene-dodecahydro-phenalene-1-carbonitrile
SpectraBase Compound ID 36NeAiafJCK
InChI InChI=1S/C22H32N2S/c1-14-6-7-18-20-17(8-9-22(18,5)12-23)15(2)10-16(19(14)20)11-21(3,4)24-13-25/h15-20H,1,6-11H2,2-5H3/t15-,16-,17+,18-,19-,20+,22-/m1/s1
InChIKey UAMLJAIZEUCBHU-PFOGKZASSA-N
Mol Weight 356.6 g/mol
Molecular Formula C22H32N2S
Exact Mass 356.22862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wRB5X0IEle
Name (1S,3aS,4R,6R,6aR,9aR,9bS)-6-(2-Isothiocyanato-2-methyl-propyl)-1,4-dimethyl-7-methylene-dodecahydro-phenalene-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2S
InChI InChI=1S/C22H32N2S/c1-14-6-7-18-20-17(8-9-22(18,5)12-23)15(2)10-16(19(14)20)11-21(3,4)24-13-25/h15-20H,1,6-11H2,2-5H3/t15-,16-,17+,18-,19-,20+,22-/m1/s1
InChIKey UAMLJAIZEUCBHU-PFOGKZASSA-N
Molecular Weight 356.572 g/mol
SMILES [C@]12([C@]3([C@@](CC(N=C=S)(C)C)(C[C@]([C@@]2(CC[C@@]([C@@]1(CCC3=C)[H])(C#N)C)[H])(C)[H])[H])[H])[H]
SPLASH splash10-0a4j-0960000000-c12db9511963e1f69eef
Source of Spectrum F-55-12636-6
Synonyms (1S,3aS,4R,6R,6aR,9aR,9bS)-6-(2-isothiocyanato-2-methylpropyl)-1,4-dimethyl-7-methylenedodecahydro-1H-phenalene-1-carbonitrile 6-Cyano-1-(2-methyl-2-isocyanopropyl)-3,6-dimethyl-9-methyleneperhydrophenalene 7-Cyano-1-(2-methyl-2-isocyanopropyl)-3,7-dimethyl-11-methyleneperhydrophenalene
Wiley ID 839591