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18-Methyldi(methylthio)-[2.2]cyclophane-9-carbonitrile
SpectraBase Compound ID F1a3cRh6Vi0
InChI InChI=1S/C20H21NS2/c1-13-14-6-4-8-16(13)19(22-2)11-15-7-5-9-17(18(15)12-21)20(10-14)23-3/h4-9,19-20H,10-11H2,1-3H3
InChIKey PDTWHXUKGORTLX-UHFFFAOYSA-N
Mol Weight 339.52 g/mol
Molecular Formula C20H21NS2
Exact Mass 339.111542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6h9z0jSDozQ
Name 18-Methyldi(methylthio)-[2.2]cyclophane-9-carbonitrile
Alternate Name(s) 16-Methyl-2,9-bis-methylsulfanyl-tricyclo[9.3.1.1*4,8*]hexadeca-1(14),4,6,8(16),11(15),12-hexaene-15-carbonitrile
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Formula C20H21NS2
InChI InChI=1S/C20H21NS2/c1-13-14-6-4-8-16(13)19(22-2)11-15-7-5-9-17(18(15)12-21)20(10-14)23-3/h4-9,19-20H,10-11H2,1-3H3
InChIKey PDTWHXUKGORTLX-UHFFFAOYSA-N
Molecular Weight 339.515 g/mol
SMILES c1(c2C(Cc3cccc(c3C)C(Cc1ccc2)SC)SC)C#N
SPLASH splash10-000f-0097000000-f6555da34265aaadfbde
Source of Spectrum J-59-8278-11
Wiley ID 1334609