| SpectraBase Compound ID | JNhgpoHdH6M |
|---|---|
| InChI | InChI=1S/C16H12O2/c1-11-7-8-15-13(9-11)16(17)14(10-18-15)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | WPPSYROXFNGOGO-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C16H12O2 |
| Exact Mass | 236.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gpv7rgpE0eE |
|---|---|
| Name | 6-Methylisoflavone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.083729624 u |
| Formula | C16H12O2 |
| InChI | InChI=1S/C16H12O2/c1-11-7-8-15-13(9-11)16(17)14(10-18-15)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | WPPSYROXFNGOGO-UHFFFAOYSA-N |
| Molecular Weight | 236.270 g/mol |
| SMILES | C1=C(C(=O)C=2C(O1)=CC=C(C2)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950318 |