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1,3-Propanediol, dimethanesulfonate
SpectraBase Compound ID BnDdEA3M1Or
InChI InChI=1S/C5H12O6S2/c1-12(6,7)10-4-3-5-11-13(2,8)9/h3-5H2,1-2H3
InChIKey MAIFZJHANFOZHK-UHFFFAOYSA-N
Mol Weight 232.26 g/mol
Molecular Formula C5H12O6S2
Exact Mass 232.00753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8MGxCohV7a
Name 1,3-Propanediol, dimethanesulfonate
Alternate Name(s) 3-[(Methylsulfonyl)oxy]propyl methanesulfonate 1,3-Di(methanesulfonoxy)propane 1,3-Dimethanesulphonoxypropane Dimethanesulfonic acid, trimethylene ester Methanesulfonic acid 3-methylsulfonyloxypropyl ester Propane-1,3-dimethanesulfonate Propylene dimethanesulfonate Trimethylene dimethane sulfonate Trimethylene dimethanesulphonate AI3-51904 BRN 1791022 CB 2040 ENT 51904 ENT-59104 NSC 17017
CAS Registry Number 15886-84-7
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Formula C5H12O6S2
InChI InChI=1S/C5H12O6S2/c1-12(6,7)10-4-3-5-11-13(2,8)9/h3-5H2,1-2H3
InChIKey MAIFZJHANFOZHK-UHFFFAOYSA-N
Molecular Weight 232.265 g/mol
SMILES CS(=O)(=O)OCCCOS(C)(=O)=O
SPLASH splash10-05r0-9200000000-2563d2334ae1e8ba9ac5
Source of Spectrum O-7-1041-2
Wiley ID 1233132