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(2R,3aR,7aS)-2-spiro[1,2,3,3a,4,5,6,7a-octahydroindole-7,2'-1,3-dithiane]carboxylic acid ethyl ester
SpectraBase Compound ID D7yIQi8FDTd
InChI InChI=1S/C14H23NO2S2/c1-2-17-13(16)11-9-10-5-3-6-14(12(10)15-11)18-7-4-8-19-14/h10-12,15H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKey XXCHGYOBTOFUFT-UTUOFQBUSA-N
Mol Weight 301.46 g/mol
Molecular Formula C14H23NO2S2
Exact Mass 301.117021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K52YgyQOrYf
Name (2R,3aR,7aS)-2-spiro[1,2,3,3a,4,5,6,7a-octahydroindole-7,2'-1,3-dithiane]carboxylic acid ethyl ester
Alternate Name(s) (2R,3aR,7aS)-spiro[1,2,3,3a,4,5,6,7a-octahydroindole-7,2'-1,3-dithiane]-2-carboxylic acid ethyl ester ethyl (2R,3aR,7aS)-spiro[1,2,3,3a,4,5,6,7a-octahydroindole-7,2'-1,3-dithiane]-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C14H23NO2S2
InChI InChI=1S/C14H23NO2S2/c1-2-17-13(16)11-9-10-5-3-6-14(12(10)15-11)18-7-4-8-19-14/h10-12,15H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKey XXCHGYOBTOFUFT-UTUOFQBUSA-N
Molecular Weight 301.463 g/mol
SMILES N1[C@](C[C@]2(CCCC3([C@@]12[H])SCCCS3)[H])(C(=O)OCC)[H]
SPLASH splash10-0002-0902000000-5a49569c9b0712a5778f
Source of Spectrum K-2001-1763-20
Wiley ID 1579308