| SpectraBase Compound ID | DXJxYGTWmBE |
|---|---|
| InChI | InChI=1S/C11H10O5/c1-5-3-6-4-7(12)10(15-2)9(13)8(6)11(14)16-5/h3-4,12-13H,1-2H3 |
| InChIKey | LREZRXWUEZCZRU-UHFFFAOYSA-N |
| Mol Weight | 222.2 g/mol |
| Molecular Formula | C11H10O5 |
| Exact Mass | 222.052823 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8JgAZIorrDR |
|---|---|
| Name | Reticulol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.052823417 u |
| Formula | C11H10O5 |
| InChI | InChI=1S/C11H10O5/c1-5-3-6-4-7(12)10(15-2)9(13)8(6)11(14)16-5/h3-4,12-13H,1-2H3 |
| InChIKey | LREZRXWUEZCZRU-UHFFFAOYSA-N |
| Molecular Weight | 222.196 g/mol |
| SMILES | C1(=O)OC(=CC2=CC(O)=C(C(O)=C12)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907678 |