| SpectraBase Compound ID | DboqoeBZGGX |
|---|---|
| InChI | InChI=1S/C16H14O/c1-3-7-13(8-4-1)11-15-12-16(17-15)14-9-5-2-6-10-14/h1-10,12,16H,11H2 |
| InChIKey | WVEYAOZQAOJSPI-UHFFFAOYSA-N |
| Mol Weight | 222.29 g/mol |
| Molecular Formula | C16H14O |
| Exact Mass | 222.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BD1dkL3YTTW |
|---|---|
| Name | 2-Benzyl-4-phenyl-4H-oxete |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.104465070 u |
| Formula | C16H14O |
| InChI | InChI=1S/C16H14O/c1-3-7-13(8-4-1)11-15-12-16(17-15)14-9-5-2-6-10-14/h1-10,12,16H,11H2 |
| InChIKey | WVEYAOZQAOJSPI-UHFFFAOYSA-N |
| Molecular Weight | 222.287 g/mol |
| SMILES | C1(C=C(O1)CC=1C=CC=CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930325 |