| SpectraBase Compound ID | 2FQoIDo2Hf3 |
|---|---|
| InChI | InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2 |
| InChIKey | RTRZOHKLISMNRD-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C15H12O2 |
| Exact Mass | 224.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5hmbz94o4dr |
|---|---|
| Name | Isoflavanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.083729624 u |
| Formula | C15H12O2 |
| InChI | InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2 |
| InChIKey | RTRZOHKLISMNRD-UHFFFAOYSA-N |
| Molecular Weight | 224.259 g/mol |
| SMILES | C=12OCC(C(C2=CC=CC1)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919902 |