| SpectraBase Compound ID | EmzDqItnFPY |
|---|---|
| InChI | InChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3 |
| InChIKey | XRJWLVUOUWIPHW-UHFFFAOYSA-N |
| Mol Weight | 268.27 g/mol |
| Molecular Formula | C16H12O4 |
| Exact Mass | 268.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1DBY3EPYRvb |
|---|---|
| Name | 6-C-Methylchrysin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.073558862 u |
| Formula | C16H12O4 |
| InChI | InChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3 |
| InChIKey | XRJWLVUOUWIPHW-UHFFFAOYSA-N |
| SMILES | C1(=O)C=C(C2=CC=CC=C2)OC=2C1=C(O)C(=C(C2)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842429 |