![Dibenzo[b, f]oxepin](/api/spectrum/BjxCHuJB4hI/structure.png?h=300&w=458 "Dibenzo[b, f]oxepin")
| SpectraBase Compound ID | BfMWaB3cRi2 |
|---|---|
| InChI | InChI=1S/C14H10O/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10H |
| InChIKey | QQQCGYCZORNOOS-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C14H10O |
| Exact Mass | 194.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BjxCHuJB4hI |
|---|---|
| Name | Dibenzo[B, F]oxepin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.073164941 u |
| Formula | C14H10O |
| InChI | InChI=1S/C14H10O/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10H |
| InChIKey | QQQCGYCZORNOOS-UHFFFAOYSA-N |
| Molecular Weight | 194.233 g/mol |
| SMILES | C1=CC=C2C=CC3=C(OC2=C1)C=CC=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908746 |