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D-(-)-Pantoylactone 1-thiocarbonylimidazolide
SpectraBase Compound ID IAz0KHvYsbj
InChI InChI=1S/C10H12N2O3S/c1-10(2)5-14-8(13)7(10)15-9(16)12-4-3-11-6-12/h3-4,6-7H,5H2,1-2H3/t7-/m1/s1
InChIKey DHETUSRODNDBBT-SSDOTTSWSA-N
Mol Weight 240.28 g/mol
Molecular Formula C10H12N2O3S
Exact Mass 240.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtdnD1PDAPR
Name D-(-)-Pantoylactone 1-thiocarbonylimidazolide
Alternate Name(s) O-[(3S)-4,4-dimethyl-2-oxotetrahydro-3-furanyl]1H-imidazole-1-carbothioate
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Formula C10H12N2O3S
InChI InChI=1S/C10H12N2O3S/c1-10(2)5-14-8(13)7(10)15-9(16)12-4-3-11-6-12/h3-4,6-7H,5H2,1-2H3/t7-/m1/s1
InChIKey DHETUSRODNDBBT-SSDOTTSWSA-N
Molecular Weight 240.277 g/mol
SMILES C([n]1cncc1)(O[C@@]1(C(OCC1(C)C)=O)[H])=S
SPLASH splash10-0006-9310000000-be9e4d47d1c881212a23
Source of Spectrum F-53-2419-3
Wiley ID 800525