| SpectraBase Compound ID | 8rVePeaxLXG |
|---|---|
| InChI | InChI=1S/C14H12O2/c1-9(15)11-5-3-8-14-12(10(2)16)6-4-7-13(11)14/h3-8H,1-2H3 |
| InChIKey | XWZKPVAYNUXKCZ-UHFFFAOYSA-N |
| Mol Weight | 212.25 g/mol |
| Molecular Formula | C14H12O2 |
| Exact Mass | 212.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5g3WfzyEFur |
|---|---|
| Name | 1,5-Diacetylnaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.083729624 u |
| Formula | C14H12O2 |
| InChI | InChI=1S/C14H12O2/c1-9(15)11-5-3-8-14-12(10(2)16)6-4-7-13(11)14/h3-8H,1-2H3 |
| InChIKey | XWZKPVAYNUXKCZ-UHFFFAOYSA-N |
| Molecular Weight | 212.248 g/mol |
| SMILES | C1=2C(=CC=CC2C(=O)C)C(=CC=C1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946662 |