| SpectraBase Compound ID | IYEL56vTRk3 |
|---|---|
| InChI | InChI=1S/C11H10N2O7/c1-6(14)7(2)20-11(15)8-3-9(12(16)17)5-10(4-8)13(18)19/h3-5,7H,1-2H3 |
| InChIKey | PUMPIKDMGFQJIX-UHFFFAOYSA-N |
| Mol Weight | 282.21 g/mol |
| Molecular Formula | C11H10N2O7 |
| Exact Mass | 282.048801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9vYJYrkC1Oy |
|---|---|
| Name | 3-Oxobutan-2-yl 3,5-dinitrobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.048800663 u |
| Formula | C11H10N2O7 |
| InChI | InChI=1S/C11H10N2O7/c1-6(14)7(2)20-11(15)8-3-9(12(16)17)5-10(4-8)13(18)19/h3-5,7H,1-2H3 |
| InChIKey | PUMPIKDMGFQJIX-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OC(C(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969807 |