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6,7-Diphenyl-4-piperidino-bicyclo[2.2.2]octan-2-one - thiocyanide salt
SpectraBase Compound ID Fw14PgKptCJ
InChI InChI=1S/C25H29NO.CNS/c27-23-18-25(26-14-8-3-9-15-26)16-21(19-10-4-1-5-11-19)24(23)22(17-25)20-12-6-2-7-13-20;2-1-3/h1-2,4-7,10-13,21-22,24H,3,8-9,14-18H2;/q;-1/p+1/t21-,22-,24-,25-;/m0./s1
InChIKey ARQBPNBBIWNSSJ-FKCGRILISA-O
Mol Weight 418.6 g/mol
Molecular Formula C26H30N2OS
Exact Mass 418.207885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gx1aaELbtAp
Name 6,7-Diphenyl-4-piperidino-bicyclo[2.2.2]octan-2-one - thiocyanide salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2OS
InChI InChI=1S/C25H29NO.CNS/c27-23-18-25(26-14-8-3-9-15-26)16-21(19-10-4-1-5-11-19)24(23)22(17-25)20-12-6-2-7-13-20;2-1-3/h1-2,4-7,10-13,21-22,24H,3,8-9,14-18H2;/q;-1/p+1/t21-,22-,24-,25-;/m0./s1
InChIKey ARQBPNBBIWNSSJ-FKCGRILISA-O
Molecular Weight 418.599 g/mol
SMILES C(=[N-])=S.[NH+]1([C@]23C[C@](c4ccccc4)([H])[C@@](C(C3)=O)([C@@](C2)(c2ccccc2)[H])[H])CCCCC1
SPLASH splash10-0a4i-0196000000-674c968cfbf5ba938663
Source of Spectrum AH-134-1023-12
Wiley ID 1546953