| SpectraBase Spectrum ID |
FePbyiiFjyE |
| Name |
Gluconic acid ME5AC @P1508 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.126776201 u |
| Formula |
C17H24O12 |
| InChI |
InChI=1S/C17H24O12/c1-8(18)25-7-13(26-9(2)19)14(27-10(3)20)15(28-11(4)21)16(17(23)24-6)29-12(5)22/h13-16H,7H2,1-6H3 |
| InChIKey |
VLQXFOZGUZCYFY-UHFFFAOYSA-N |
| Molecular Weight |
420.367 g/mol |
| SMILES |
C(C(C(=O)OC)OC(=O)C)(C(C(OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986787 |
