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5H-Pyrano[2,3-d]oxazole-6,7-diol-7a-13C, 3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-2-(methylthio)-, [3aS-(3a.alpha.,5.alpha.,6.beta.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID KJVEJngBkRN
InChI InChI=1S/C8H13NO5S/c1-15-8-9-7-6(14-8)5(12)4(11)3(2-10)13-7/h3-7,10-12H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1/i6+1
InChIKey WESVXXRTAHKXMP-NUIJFTDCSA-N
Mol Weight 236.25 g/mol
Molecular Formula C713CH13NO5S
Exact Mass 236.054799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L49a2sExLSI
Name 5H-Pyrano[2,3-d]oxazole-6,7-diol-7a-13C, 3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-2-(methylthio)-, [3aS-(3a.alpha.,5.alpha.,6.beta.,7.alpha.,7a.alpha.)]-
CAS Registry Number 101007-75-4
Comments Original formula: C7[13C]H13NO5S
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)5(12)4(11)3(2-10)13-7/h3-7,10-12H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1/i6+1
InChIKey WESVXXRTAHKXMP-NUIJFTDCSA-N
Molecular Weight 236.246 g/mol
SMILES O[C@@]1([C@]([C@](CO)(O[C@]2([13C@]1(OC(=N2)SC)[H])[H])[H])(O)[H])[H]
SPLASH splash10-0295-9300000000-376db14a327a8bb32b18
Source of Spectrum O-20-460-10
Synonyms 2-Methylthio-(1,2-dideoxy-.alpha.-D-glucopyrano)(1,2-d)-2-oxazoline-(2-¹³C)
Wiley ID 1236835