| SpectraBase Compound ID | AH8CSKD7ehA |
|---|---|
| InChI | InChI=1S/C14H8N2O4/c17-15(18)13-9-5-1-2-6-10(9)14(16(19)20)12-8-4-3-7-11(12)13/h1-8H |
| InChIKey | XYPMAZCBFKBIFK-UHFFFAOYSA-N |
| Mol Weight | 268.23 g/mol |
| Molecular Formula | C14H8N2O4 |
| Exact Mass | 268.048407 g/mol |
| SpectraBase Spectrum ID | KZC8NnU03U6 |
|---|---|
| Name | Anthracene, 9,10-dinitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.048406742 u |
| Formula | C14H8N2O4 |
| InChI | InChI=1S/C14H8N2O4/c17-15(18)13-9-5-1-2-6-10(9)14(16(19)20)12-8-4-3-7-11(12)13/h1-8H |
| InChIKey | XYPMAZCBFKBIFK-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC=CC2)C(=C2C(=C1N(=O)=O)C=CC=C2)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959276 |