SpectraBase Compound ID | FXF9MYFHSFJ |
---|---|
InChI | InChI=1S/C6H10O4/c7-5-3-1-9-4(2-10-3)6(5)8/h3-8H,1-2H2/t3-,4-,5-,6-/m0/s1 |
InChIKey | ZVYBPIWWKLWXPA-BXKVDMCESA-N |
Mol Weight | 146.14 g/mol |
Molecular Formula | C6H10O4 |
Exact Mass | 146.057909 g/mol |
SpectraBase Spectrum ID | 2AIQ3v7Q2cJ |
---|---|
Name | Dianhydromannitol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 146.057908798 u |
Formula | C6H10O4 |
InChI | InChI=1S/C6H10O4/c7-5-3-1-9-4(2-10-3)6(5)8/h3-8H,1-2H2/t3-,4-,5-,6-/m0/s1 |
InChIKey | ZVYBPIWWKLWXPA-BXKVDMCESA-N |
SMILES | [C@@]1([C@]([C@@]2(CO[C@]1(CO2)[H])[H])(O)[H])(O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960884 |