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[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(5-chloro-1,2,4-triazol-1-yl)tetrahydropyran-2-yl]methyl acetate
SpectraBase Compound ID La0Xp8syFbh
InChI InChI=1S/C16H20ClN3O9/c1-7(21)25-5-11-12(26-8(2)22)13(27-9(3)23)14(28-10(4)24)15(29-11)20-16(17)18-6-19-20/h6,11-15H,5H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey TYNDBUQTHDIXCJ-UXXRCYHCSA-N
Mol Weight 433.8 g/mol
Molecular Formula C16H20ClN3O9
Exact Mass 433.088807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dIiBhlODBg
Name [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(5-chloro-1,2,4-triazol-1-yl)tetrahydropyran-2-yl]methyl acetate
CAS Registry Number 88261-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClN3O9
InChI InChI=1S/C16H20ClN3O9/c1-7(21)25-5-11-12(26-8(2)22)13(27-9(3)23)14(28-10(4)24)15(29-11)20-16(17)18-6-19-20/h6,11-15H,5H2,1-4H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey TYNDBUQTHDIXCJ-UXXRCYHCSA-N
Molecular Weight 433.801 g/mol
SMILES [C@@]1([n]2c(ncn2)Cl)([C@@]([C@@](OC(=O)C)([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0f89-0609000000-9538f0a271c5c79a758a
Source of Spectrum Y-20-1309-0
Synonyms [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-chloranyl-1,2,4-triazol-1-yl)oxan-2-yl]methyl ethanoate [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-chloro-1,2,4-triazol-1-yl)oxan-2-yl]methyl acetate Acetic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(5-chloro-1,2,4-triazol-1-yl)-2-oxanyl]methyl ester
Wiley ID 1382597