| SpectraBase Compound ID | 8aV6nN63eLz |
|---|---|
| InChI | InChI=1S/C14H10N2O5/c17-14-4-2-1-3-11(14)6-5-10-7-8-12(15(18)19)9-13(10)16(20)21/h1-9,17H/b6-5+ |
| InChIKey | LIBPVNZICNFUQK-AATRIKPKSA-N |
| Mol Weight | 286.24 g/mol |
| Molecular Formula | C14H10N2O5 |
| Exact Mass | 286.058971 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7IDwMahKcMl |
|---|---|
| Name | o-(2,4-Dinitrostyryl)-phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.058971425 u |
| Formula | C14H10N2O5 |
| InChI | InChI=1S/C14H10N2O5/c17-14-4-2-1-3-11(14)6-5-10-7-8-12(15(18)19)9-13(10)16(20)21/h1-9,17H/b6-5+ |
| InChIKey | LIBPVNZICNFUQK-AATRIKPKSA-N |
| SMILES | C1=C(C(=CC=C1)O)\C=C\C1=CC=C(C=C1N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924254 |