| SpectraBase Compound ID | 9eBNhJzpQGN |
|---|---|
| InChI | InChI=1S/C22H16/c1-13-10-19-18-9-5-8-17-16-7-4-3-6-15(16)12-21(22(17)18)20(19)11-14(13)2/h3-12H,1-2H3 |
| InChIKey | NNPXJNHIPBFDOD-UHFFFAOYSA-N |
| Mol Weight | 280.37 g/mol |
| Molecular Formula | C22H16 |
| Exact Mass | 280.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2wuOQdA7HCd |
|---|---|
| Name | 5,6-Dimethyl-bbf |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.125200515 u |
| Formula | C22H16 |
| InChI | InChI=1S/C22H16/c1-13-10-19-18-9-5-8-17-16-7-4-3-6-15(16)12-21(22(17)18)20(19)11-14(13)2/h3-12H,1-2H3 |
| InChIKey | NNPXJNHIPBFDOD-UHFFFAOYSA-N |
| SMILES | C=12C(C3=CC=CC=4C3=C2C=C2C4C=CC=C2)=CC(=C(C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93516 |