| SpectraBase Compound ID | 40P7zLatAWB |
|---|---|
| InChI | InChI=1S/C13H10O2/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-9-14-12/h1-8H,9H2 |
| InChIKey | JXUHCIXSAQBFFS-UHFFFAOYSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C13H10O2 |
| Exact Mass | 198.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1HqQ7782O6s |
|---|---|
| Name | Dibenzo(D,F)(1,3)dioxepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.068079560 u |
| Formula | C13H10O2 |
| InChI | InChI=1S/C13H10O2/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-9-14-12/h1-8H,9H2 |
| InChIKey | JXUHCIXSAQBFFS-UHFFFAOYSA-N |
| Molecular Weight | 198.221 g/mol |
| SMILES | C12=C(OCOC3=C2C=CC=C3)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93887 |