SpectraBase Compound ID | 1knP0X24d7a |
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InChI | InChI=1S/C10H20O5/c1-11-5-8-10(14-4)9(13-3)7(12-2)6-15-8/h7-10H,5-6H2,1-4H3 |
InChIKey | SQOPNOVHKFZFPJ-UHFFFAOYSA-N |
Mol Weight | 220.26 g/mol |
Molecular Formula | C10H20O5 |
Exact Mass | 220.131074 g/mol |
SpectraBase Spectrum ID | Bso8xuZmGYz |
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Name | 1,5-Anhydro-2,3,4,6-tetra-o-methyl-D-mannitol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 220.131073739 u |
Formula | C10H20O5 |
InChI | InChI=1S/C10H20O5/c1-11-5-8-10(14-4)9(13-3)7(12-2)6-15-8/h7-10H,5-6H2,1-4H3 |
InChIKey | SQOPNOVHKFZFPJ-UHFFFAOYSA-N |
Molecular Weight | 220.265 g/mol |
SMILES | C1(C(OCC(C1OC)OC)COC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980247 |