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CASSIPOUREAMIDE-A;N-(2-HYDROXYETHYL)-4-HYDROXY-1,2-DITHIOLANE-3-CARBOXAMIDE
SpectraBase Compound ID 1EIy7Iy7jxn
InChI InChI=1S/C6H11NO3S2/c8-2-1-7-6(10)5-4(9)3-11-12-5/h4-5,8-9H,1-3H2,(H,7,10)/t4-,5+/m1/s1
InChIKey LHFFRRDCDOTHHS-UHNVWZDZSA-N
Mol Weight 209.28 g/mol
Molecular Formula C6H11NO3S2
Exact Mass 209.018036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Di7COzo1qId
Name (3S,4R)-4-hydroxy-N-(2-hydroxyethyl)-3-dithiolanecarboxamide
Comments Less than 3 mono-isotopic peaks
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Formula C6H11NO3S2
InChI InChI=1S/C6H11NO3S2/c8-2-1-7-6(10)5-4(9)3-11-12-5/h4-5,8-9H,1-3H2,(H,7,10)/t4-,5+/m1/s1
InChIKey LHFFRRDCDOTHHS-UHNVWZDZSA-N
Molecular Weight 209.278 g/mol
SMILES O[C@@]1(CSS[C@@]1(C(=O)NCCO)[H])[H]
SPLASH splash10-001i-0940000000-d03f1406cd295d50e2bf
Source of Spectrum G4-63-1676-1
Synonyms (3S,4R)-4-hydroxy-N-(2-hydroxyethyl)dithiolane-3-carboxamide (3S,4R)-N-(2-hydroxyethyl)-4-oxidanyl-1,2-dithiolane-3-carboxamide
Wiley ID 1608727