| SpectraBase Compound ID | 7KjzCsPYPOO |
|---|---|
| InChI | InChI=1S/C16H14O5/c1-18-10-5-4-6-11-13(10)14(17)9-7-8-12(19-2)16(20-3)15(9)21-11/h4-8H,1-3H3 |
| InChIKey | ZICXFHFFNJEYHC-UHFFFAOYSA-N |
| Mol Weight | 286.28 g/mol |
| Molecular Formula | C16H14O5 |
| Exact Mass | 286.084124 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HDeNmNGmvHf |
|---|---|
| Name | Buchanaxanthone, dimethyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.084123546 u |
| Formula | C16H14O5 |
| InChI | InChI=1S/C16H14O5/c1-18-10-5-4-6-11-13(10)14(17)9-7-8-12(19-2)16(20-3)15(9)21-11/h4-8H,1-3H3 |
| InChIKey | ZICXFHFFNJEYHC-UHFFFAOYSA-N |
| SMILES | COC1=CC=CC=2OC3=C(OC)C(OC)=CC=C3C(=O)C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943784 |