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1-(2-Methylol-5-phenyl-3H-1,3,4-thiadiazol-2-yl)butane-1,2,3,4-tetrol
SpectraBase Compound ID 7IPRYv6xzyj
InChI InChI=1S/C13H18N2O5S/c16-6-9(18)10(19)11(20)13(7-17)15-14-12(21-13)8-4-2-1-3-5-8/h1-5,9-11,15-20H,6-7H2/t9-,10-,11+,13+/m1/s1
InChIKey ZMFRZOKASUHFPF-DCQANWLSSA-N
Mol Weight 314.36 g/mol
Molecular Formula C13H18N2O5S
Exact Mass 314.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qwgNmzAXqA
Name 1-(2-Methylol-5-phenyl-3H-1,3,4-thiadiazol-2-yl)butane-1,2,3,4-tetrol
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Formula C13H18N2O5S
InChI InChI=1S/C13H18N2O5S/c16-6-9(18)10(19)11(20)13(7-17)15-14-12(21-13)8-4-2-1-3-5-8/h1-5,9-11,15-20H,6-7H2/t9-,10-,11+,13+/m1/s1
InChIKey ZMFRZOKASUHFPF-DCQANWLSSA-N
Molecular Weight 314.356 g/mol
SMILES N1N=C(S[C@]1([C@]([C@@]([C@](O)(CO)[H])(O)[H])(O)[H])CO)c1ccccc1
SPLASH splash10-0f96-5910000000-c41cb877d3a6fb7d5ee3
Synonyms 1-[2-(hydroxymethyl)-5-phenyl-3H-1,3,4-thiadiazol-2-yl]butane-1,2,3,4-tetrol
Wiley ID 1444939