| SpectraBase Compound ID | LLDKxi7TbnC |
|---|---|
| InChI | InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H |
| InChIKey | NFBOHOGPQUYFRF-UHFFFAOYSA-N |
| Mol Weight | 184.19 g/mol |
| Molecular Formula | C12H8O2 |
| Exact Mass | 184.052429 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1s5Q4n9LDGb |
|---|---|
| Name | Dibenzodioxane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.052429496 u |
| Formula | C12H8O2 |
| InChI | InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H |
| InChIKey | NFBOHOGPQUYFRF-UHFFFAOYSA-N |
| Molecular Weight | 184.194 g/mol |
| SMILES | C1=2OC3=CC=CC=C3OC1=CC=CC2 |
| Spectrum/Structure Validation Score (Raman) | 0.914701 |