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3',4'-bis(Trifluoromethyl)-spiro[adamantane-2,2'-thiolane]-3',4'-dicarbonitrile
SpectraBase Compound ID 4OsIuidW9YD
InChI InChI=1S/C17H16F6N2S/c18-16(19,20)13(6-24)8-26-15(14(13,7-25)17(21,22)23)11-2-9-1-10(4-11)5-12(15)3-9/h9-12H,1-5,8H2/t9-,10+,11-,12+,13?,14?,15?
InChIKey NNDIWINPKPGCCY-QAKOGCTKSA-N
Mol Weight 394.38 g/mol
Molecular Formula C17H16F6N2S
Exact Mass 394.093839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UXDtlNeVXc
Name 3',4'-bis(Trifluoromethyl)-spiro[adamantane-2,2'-thiolane]-3',4'-dicarbonitrile
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Formula C17H16F6N2S
InChI InChI=1S/C17H16F6N2S/c18-16(19,20)13(6-24)8-26-15(14(13,7-25)17(21,22)23)11-2-9-1-10(4-11)5-12(15)3-9/h9-12H,1-5,8H2/t9-,10+,11-,12+,13?,14?,15?
InChIKey NNDIWINPKPGCCY-QAKOGCTKSA-N
Molecular Weight 394.379 g/mol
SMILES [C@]12(C3([C@]4(C[C@](C[C@@](C2)(C4)[H])(C1)[H])[H])SCC(C3(C#N)C(F)(F)F)(C#N)C(F)(F)F)[H]
SPLASH splash10-000x-9513000000-02fc1a30998ec8b3f497
Source of Spectrum H-85-2683-29
Synonyms 3',4'-bis(trifluoromethyl)spiro[adamantane-2,2'-thiolane]-3',4'-dicarbonitrile
Wiley ID 1524517