| SpectraBase Compound ID | 8edTTVc11K4 |
|---|---|
| InChI | InChI=1S/C13H7NO4/c15-13-9-3-1-2-4-11(9)18-12-6-5-8(14(16)17)7-10(12)13/h1-7H |
| InChIKey | NDCNIDLJNJJHRA-UHFFFAOYSA-N |
| Mol Weight | 241.2 g/mol |
| Molecular Formula | C13H7NO4 |
| Exact Mass | 241.037508 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ckf7mQWbRHy |
|---|---|
| Name | 2-Nitroxanthone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.037507705 u |
| Formula | C13H7NO4 |
| InChI | InChI=1S/C13H7NO4/c15-13-9-3-1-2-4-11(9)18-12-6-5-8(14(16)17)7-10(12)13/h1-7H |
| InChIKey | NDCNIDLJNJJHRA-UHFFFAOYSA-N |
| Molecular Weight | 241.202 g/mol |
| SMILES | C1(N(=O)=O)=CC2=C(C=C1)OC1=CC=CC=C1C2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97124 |