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1,4-Dithiadispiro[4.2.5.2]pentadecane-9-carboxylic acid, 13-methyl-12-oxo-, methyl ester
SpectraBase Compound ID 3W30qkTe7jB
InChI InChI=1S/C16H24O3S2/c1-11-13(17)4-3-12(14(18)19-2)15(11)5-7-16(8-6-15)20-9-10-21-16/h11-12H,3-10H2,1-2H3
InChIKey FXCZYVPXPMVQMT-UHFFFAOYSA-N
Mol Weight 328.49 g/mol
Molecular Formula C16H24O3S2
Exact Mass 328.116687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5uZYX7b543
Name 1,4-Dithiadispiro[4.2.5.2]pentadecane-9-carboxylic acid, 13-methyl-12-oxo-, methyl ester
CAS Registry Number 108643-44-3
Comments Less than 3 mono-isotopic peaks
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Formula C16H24O3S2
InChI InChI=1S/C16H24O3S2/c1-11-13(17)4-3-12(14(18)19-2)15(11)5-7-16(8-6-15)20-9-10-21-16/h11-12H,3-10H2,1-2H3
InChIKey FXCZYVPXPMVQMT-UHFFFAOYSA-N
Molecular Weight 328.485 g/mol
SMILES C12(C(C(=O)OC)CCC(C2C)=O)CCC2(CC1)SCCS2
SPLASH splash10-004j-0069000000-50ebf43bb1da165b801d
Source of Spectrum KC-1986-1513-27
Synonyms methyl 13-methyl-12-oxo-1,4-dithiadispiro[4.2.5.2]pentadecane-9-carboxylate Methyl 9,9-ethylenedithio-5-methyl-4-oxodispiro[5.5]undecane-1-carboxylate
Wiley ID 1326044