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Spiro(adamantane)-2,2'-(1,3-dithiolane), 4-methanesulfonate

View entire compound with spectra: 1 MS (GC)

Spiro(adamantane)-2,2'-(1,3-dithiolane), 4-methanesulfonate
SpectraBase Compound ID 180HIcTRKgR
InChI InChI=1S/C13H20O3S3/c1-19(14,15)16-12-9-4-8-5-10(7-9)13(11(12)6-8)17-2-3-18-13/h8-12H,2-7H2,1H3/t8-,9+,10-,11+,12+/m0/s1
InChIKey CDHLCJAPZUDAOW-RNWYCLNJSA-N
Mol Weight 320.48 g/mol
Molecular Formula C13H20O3S3
Exact Mass 320.057458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AZxftKsje0
Name Spiro(adamantane)-2,2'-(1,3-dithiolane), 4-methanesulfonate
Alternate Name(s) Methanesulfonic acid 2'-spiro[1,3-dithiolane-2,4'-adamantane]yl ester Methanesulfonic acid spiro[1,3-dithiolane-2,4'-adamantane]-2'-yl ester Spiro[1,3-dithiolane-2,4'-adamantane]-2'-yl methanesulfonate
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Formula C13H20O3S3
InChI InChI=1S/C13H20O3S3/c1-19(14,15)16-12-9-4-8-5-10(7-9)13(11(12)6-8)17-2-3-18-13/h8-12H,2-7H2,1H3/t8-,9+,10-,11+,12+/m0/s1
InChIKey CDHLCJAPZUDAOW-RNWYCLNJSA-N
Molecular Weight 320.480 g/mol
SMILES [C@]12(C[C@@]3([C@]([C@](C22SCCS2)(C[C@](C1)(C3)[H])[H])(OS(C)(=O)=O)[H])[H])[H]
SPLASH splash10-007o-6931000000-05cf0fea7e9a0d2fb98f
Wiley ID 1475206