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1-Methyl-4-phenyl-4-azatricyclo[5.2.1.0(2,6)]deca-3,5,8-trione 8-dithioacetal isomer
SpectraBase Compound ID GJF2vSXfOGC
InChI InChI=1S/C18H19NO2S2/c1-17-9-12(18(10-17)22-7-8-23-18)13-14(17)16(21)19(15(13)20)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13?,14?,17-/m0/s1
InChIKey KHTYMHUZMBNSQF-VWLISTAJSA-N
Mol Weight 345.48 g/mol
Molecular Formula C18H19NO2S2
Exact Mass 345.085721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4xrxFnZwhm
Name 1-Methyl-4-phenyl-4-azatricyclo[5.2.1.0(2,6)]deca-3,5,8-trione 8-dithioacetal isomer
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Formula C18H19NO2S2
InChI InChI=1S/C18H19NO2S2/c1-17-9-12(18(10-17)22-7-8-23-18)13-14(17)16(21)19(15(13)20)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13?,14?,17-/m0/s1
InChIKey KHTYMHUZMBNSQF-VWLISTAJSA-N
Molecular Weight 345.475 g/mol
SMILES C1(N(C(C2[C@]3(C4(C[C@@](C12)(C3)C)SCCS4)[H])=O)c1ccccc1)=O
SPLASH splash10-014i-0209000000-99e4d7d7610a357290b6
Source of Spectrum F-52-9986-18
Synonyms 1-Methyl-4-phenyl-4-azatricyclo[5.2.1.0(2,6)]deca-3,5,8-trione 8-dithioacetal 1'-methyl-4'-phenyl-4'-azaspiro[1,3-dithiolane-2,8'-tricyclo[5.2.1.0(2,6)]decane]-3',5'-dione
Wiley ID 797841