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1,2-Ethanediol, 1-[3a,5,6,6a-tetrahydro-6-hydroxy-2-(methylthio)furo[2,3-d]oxazol-5-yl]-, [3aS-[3a.alpha.,5.beta.(S*),6.alpha.,6a.alpha.]]-
SpectraBase Compound ID IiYsQMm0Cdx
InChI InChI=1S/C8H13NO5S/c1-15-8-9-7-6(14-8)4(12)5(13-7)3(11)2-10/h3-7,10-12H,2H2,1H3/t3?,4-,5+,6+,7+/m1/s1
InChIKey DUHBHWVZSQGTFG-XKRBMPBOSA-N
Mol Weight 235.25 g/mol
Molecular Formula C8H13NO5S
Exact Mass 235.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4n6w4MHRPo
Name 1,2-Ethanediol, 1-[3a,5,6,6a-tetrahydro-6-hydroxy-2-(methylthio)furo[2,3-d]oxazol-5-yl]-, [3aS-[3a.alpha.,5.beta.(S*),6.alpha.,6a.alpha.]]-
Alternate Name(s) Furo[2,3-d]oxazole, 1,2-ethanediol deriv. 1-[(3aS,5S,6R,6aS)-6-hydroxy-2-(methylsulfanyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]-1,2-ethanediol 2-Methylthio-(1,2-dideoxy-.alpha.-D-galactofurano)(1,2-d)-2-oxazoline
CAS Registry Number 101054-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO5S
InChI InChI=1S/C8H13NO5S/c1-15-8-9-7-6(14-8)4(12)5(13-7)3(11)2-10/h3-7,10-12H,2H2,1H3/t3?,4-,5+,6+,7+/m1/s1
InChIKey DUHBHWVZSQGTFG-XKRBMPBOSA-N
Molecular Weight 235.254 g/mol
SMILES O[C@]1([C@@]2(OC(=N[C@]2(O[C@]1(C(CO)O)[H])[H])SC)[H])[H]
SPLASH splash10-0002-9500000000-5437bd4b7a2ed369be54
Source of Spectrum O-20-460-11
Wiley ID 1236832