| SpectraBase Compound ID | AFsX9AC0Wwv |
|---|---|
| InChI | InChI=1S/C13H16O6/c14-6-9(16)12-11(17)10(7-15)18-13(19-12)8-4-2-1-3-5-8/h1-5,7,9-14,16-17H,6H2 |
| InChIKey | ROWVONBICVFYHB-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 | 5nsPNf63PVp |
|---|---|
| Name | 2,4-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(16)12-11(17)10(7-15)18-13(19-12)8-4-2-1-3-5-8/h1-5,7,9-14,16-17H,6H2 |
| InChIKey | ROWVONBICVFYHB-UHFFFAOYSA-N |
| SMILES | C1(C(OC(OC1C(CO)O)C1=CC=CC=C1)C=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949727 |