| SpectraBase Compound ID | Bo4v5j3ncQh |
|---|---|
| InChI | InChI=1S/C13H16O6/c14-6-9(15)11(17)12-10(16)7-18-13(19-12)8-4-2-1-3-5-8/h1-6,9-13,15-17H,7H2 |
| InChIKey | XTVRQMKOKFFGDZ-UHFFFAOYSA-N |
| Mol Weight | 268.26 g/mol |
| Molecular Formula | C13H16O6 |
| Exact Mass | 268.094688 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FgNE0XQKYC7 |
|---|---|
| Name | 4,6-o-Benzylidene D-glucose |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.094688229 u |
| Formula | C13H16O6 |
| InChI | InChI=1S/C13H16O6/c14-6-9(15)11(17)12-10(16)7-18-13(19-12)8-4-2-1-3-5-8/h1-6,9-13,15-17H,7H2 |
| InChIKey | XTVRQMKOKFFGDZ-UHFFFAOYSA-N |
| SMILES | C1C(C(OC(O1)C=1C=CC=CC1)C(C(O)C=O)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974089 |