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3-[13C]-hexane-1,3-sultone
SpectraBase Compound ID IakiaMQ4UJa
InChI InChI=1S/C6H12O3S/c1-2-3-6-4-5-10(7,8)9-6/h6H,2-5H2,1H3/i6+1
InChIKey NYKVBEXUNMMAOX-PTQBSOBMSA-N
Mol Weight 165.21 g/mol
Molecular Formula C513CH12O3S
Exact Mass 165.05407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZzDWJWHUy1
Name 3-[13C]-hexane-1,3-sultone
Alternate Name(s) 5-[¹³C]-5-Propyl-1,2-oxathiolane-2,2-Dioxide
Comments Original formula: C5[13C]H12O3S
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Formula C6H12O3S
InChI InChI=1S/C6H12O3S/c1-2-3-6-4-5-10(7,8)9-6/h6H,2-5H2,1H3/i6+1
InChIKey NYKVBEXUNMMAOX-PTQBSOBMSA-N
Molecular Weight 165.211 g/mol
SMILES [13CH]1(CCS(O1)(=O)=O)CCC
SPLASH splash10-00di-9500000000-b8bad155e3cc54fd696e
Source of Spectrum CRT-14-113-2a
Wiley ID 1715203