| SpectraBase Compound ID | 7Pgh4EGI6px |
|---|---|
| InChI | InChI=1S/C13H14O5/c1-7-5-8-6-9(15-2)11(16-3)12(17-4)10(8)13(14)18-7/h5-6H,1-4H3 |
| InChIKey | BGNQRUYYPMRSIG-UHFFFAOYSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1HvLOkwhTDX |
|---|---|
| Name | Reticulol, 2me |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084123546 u |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c1-7-5-8-6-9(15-2)11(16-3)12(17-4)10(8)13(14)18-7/h5-6H,1-4H3 |
| InChIKey | BGNQRUYYPMRSIG-UHFFFAOYSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | COC1=CC2=C(C(=O)OC(C)=C2)C(OC)=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8797 |