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Methyl 2,3-di-o-acetyl-4-o-methyl-6-deoxy-.alpha.-D-mannopyranoside
SpectraBase Compound ID 7BL0j7wB6JJ
InChI InChI=1S/C12H20O7/c1-6-9(15-4)10(18-7(2)13)11(19-8(3)14)12(16-5)17-6/h6,9-12H,1-5H3/t6-,9-,10+,11+,12+/m1/s1
InChIKey YAHIQEZSBDYBSD-FDMIMSKNSA-N
Mol Weight 276.28 g/mol
Molecular Formula C12H20O7
Exact Mass 276.120903 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Araf70weOja
Name Methyl 2,3-di-o-acetyl-4-o-methyl-6-deoxy-.alpha.-D-mannopyranoside
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.120902977 u
Formula C12H20O7
InChI InChI=1S/C12H20O7/c1-6-9(15-4)10(18-7(2)13)11(19-8(3)14)12(16-5)17-6/h6,9-12H,1-5H3/t6-,9-,10+,11+,12+/m1/s1
InChIKey YAHIQEZSBDYBSD-FDMIMSKNSA-N
Molecular Weight 276.285 g/mol
SMILES [C@@]1([C@@]([C@](O[C@@]([C@]1(OC)[H])(C)[H])(OC)[H])(OC(C)=O)[H])(OC(=O)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808601