SpectraBase Compound ID | 6Bf6YWQbvuu |
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InChI | InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1 |
InChIKey | SBJKKFFYIZUCET-JLAZNSOCSA-N |
Mol Weight | 174.11 g/mol |
Molecular Formula | C6H6O6 |
Exact Mass | 174.016438 g/mol |
SpectraBase Spectrum ID | 3xwQ3yxeh5z |
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Name | (L)-Dehydroascorbic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 174.016437907 u |
Formula | C6H6O6 |
InChI | InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1 |
InChIKey | SBJKKFFYIZUCET-JLAZNSOCSA-N |
Molecular Weight | 174.108 g/mol |
SMILES | C1(C([C@@]([C@@](O)(CO)[H])(OC1=O)[H])=O)=O |
Spectrum/Structure Validation Score (Raman) | 0.95031 |