| SpectraBase Compound ID | Dq7Tk0IzwrO |
|---|---|
| InChI | InChI=1S/C13H14O4/c1-7-5-9(14)12-11(16-4)6-10(15-3)8(2)13(12)17-7/h5-6H,1-4H3 |
| InChIKey | MJHNYZONVLZSNB-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C13H14O4 |
| Exact Mass | 234.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6RJheDhQ1w0 |
|---|---|
| Name | Isoeugenetin methyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.089208927 u |
| Formula | C13H14O4 |
| InChI | InChI=1S/C13H14O4/c1-7-5-9(14)12-11(16-4)6-10(15-3)8(2)13(12)17-7/h5-6H,1-4H3 |
| InChIKey | MJHNYZONVLZSNB-UHFFFAOYSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | C1=2C(=C(C)C(=CC2OC)OC)OC(C)=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882505 |