| SpectraBase Compound ID | 2CeT8gTJjOI |
|---|---|
| InChI | InChI=1S/C18H12O/c1-2-7-13(8-3-1)19-17-12-6-11-16-14-9-4-5-10-15(14)18(16)17/h1-12H |
| InChIKey | WXRWCAWGXBJYOV-UHFFFAOYSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C18H12O |
| Exact Mass | 244.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CiXclGdI4A5 |
|---|---|
| Name | 1-Phenoxybiphenylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.088815005 u |
| Formula | C18H12O |
| InChI | InChI=1S/C18H12O/c1-2-7-13(8-3-1)19-17-12-6-11-16-14-9-4-5-10-15(14)18(16)17/h1-12H |
| InChIKey | WXRWCAWGXBJYOV-UHFFFAOYSA-N |
| Molecular Weight | 244.293 g/mol |
| SMILES | C12=C(C=CC=C2OC2=CC=CC=C2)C=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92265 |