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1,2,3,4-Tetra-O-acetyl-5-thiopentopyranose
SpectraBase Compound ID 3xM7JkbqHib
InChI InChI=1S/C13H18O8S/c1-6(14)18-10-5-22-13(21-9(4)17)12(20-8(3)16)11(10)19-7(2)15/h10-13H,5H2,1-4H3/t10-,11+,12-,13?/m1/s1
InChIKey JEGLENJOJVLAIW-DAAZQVBGSA-N
Mol Weight 334.34 g/mol
Molecular Formula C13H18O8S
Exact Mass 334.072239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LlYeiqQnlE
Name 1,2,3,4-Tetra-O-acetyl-5-thiopentopyranose
Alternate Name(s) (4,5,6-triacetoxytetrahydrothiopyran-3-yl) acetate (4,5,6-triacetyloxythian-3-yl) acetate (4,5,6-triacetyloxythian-3-yl) ethanoate Acetic acid (4,5,6-triacetoxytetrahydrothiopyran-3-yl) ester Acetic acid (4,5,6-triacetyloxy-3-thianyl) ester d-Xylopyranose, tetra-O-acetyl-5-thio-
CAS Registry Number 4539-84-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O8S
InChI InChI=1S/C13H18O8S/c1-6(14)18-10-5-22-13(21-9(4)17)12(20-8(3)16)11(10)19-7(2)15/h10-13H,5H2,1-4H3/t10-,11+,12-,13?/m1/s1
InChIKey JEGLENJOJVLAIW-DAAZQVBGSA-N
Molecular Weight 334.339 g/mol
SMILES C(=O)(O[C@]1(C(SC[C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])OC(=O)C)[H])C
SPLASH splash10-0006-9400000000-638af433b49c4ab1642e
Source of Spectrum HE-1982-0-0
Wiley ID 1330582