| SpectraBase Compound ID | 51qJ0Epgxqe |
|---|---|
| InChI | InChI=1S/C14H12N2O4/c1-9(17)15(10(2)18)14-12-6-4-3-5-11(12)7-8-13(14)16(19)20/h3-8H,1-2H3 |
| InChIKey | XIIVNZCKCVHKNB-UHFFFAOYSA-N |
| Mol Weight | 272.26 g/mol |
| Molecular Formula | C14H12N2O4 |
| Exact Mass | 272.079707 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KAwyXZ36Op5 |
|---|---|
| Name | 2-Nitro-1-naphthalenamine, 2ac derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.079706870 u |
| Formula | C14H12N2O4 |
| InChI | InChI=1S/C14H12N2O4/c1-9(17)15(10(2)18)14-12-6-4-3-5-11(12)7-8-13(14)16(19)20/h3-8H,1-2H3 |
| InChIKey | XIIVNZCKCVHKNB-UHFFFAOYSA-N |
| SMILES | CC(=O)N(C(C)=O)C1=C2C(=CC=C1N(=O)=O)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906508 |