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saccharin, 1TMS
SpectraBase Compound ID vv9gORGpav
InChI InChI=1S/C10H13NO3SSi/c1-16(2,3)14-10-8-6-4-5-7-9(8)15(12,13)11-10/h4-7H,1-3H3
InChIKey IEOXAKMFOCYRGR-UHFFFAOYSA-N
Mol Weight 255.36 g/mol
Molecular Formula C10H13NO3SSi
Exact Mass 255.038541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MujlBv9VRq
Name saccharin, 1TMS
Comments Derivatization type: 1 TMS (mass: 255.039); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000320; Note: The molecular formula of the structure shown is C7H5NO3S - which differs from the formula reported for the mass spectrum (C10H13NO3SSi)
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Formula C10H13NO3SSi
InChI InChI=1S/C10H13NO3SSi/c1-16(2,3)14-10-8-6-4-5-7-9(8)15(12,13)11-10/h4-7H,1-3H3
InChIKey IEOXAKMFOCYRGR-UHFFFAOYSA-N
Molecular Weight 255.363 g/mol
SMILES c1ccc2c(c1)C(=NS2(=O)=O)O[Si](C)(C)C
SPLASH splash10-0006-2930000000-4c7d143e56659703d9be
Source of Spectrum FM-2019-320-0
Synonyms Cristallose, 1TMS Crystallose, 1TMS Kristallose, 1TMS Willosetten, 1TMS Madhurin, 1TMS Sucromat, 1TMS sodium 1,1-dioxo-1,2-benzothiazol-3-olate, 1TMS 3-((trimethylsilyl)oxy)benzo[d]isothiazole 1,1-dioxide
Wiley ID 1818007