| SpectraBase Compound ID | K4gh2CDaiDT |
|---|---|
| InChI | InChI=1S/C10H6N2O6/c1-2-3-18-10(13)7-4-8(11(14)15)6-9(5-7)12(16)17/h1,4-6H,3H2 |
| InChIKey | YBKJIXGRDWJQTE-UHFFFAOYSA-N |
| Mol Weight | 250.17 g/mol |
| Molecular Formula | C10H6N2O6 |
| Exact Mass | 250.022586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bmFlqJUcBL |
|---|---|
| Name | 2-Propyn-1-ol, 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.022585915 u |
| Formula | C10H6N2O6 |
| InChI | InChI=1S/C10H6N2O6/c1-2-3-18-10(13)7-4-8(11(14)15)6-9(5-7)12(16)17/h1,4-6H,3H2 |
| InChIKey | YBKJIXGRDWJQTE-UHFFFAOYSA-N |
| Molecular Weight | 250.166 g/mol |
| SMILES | N(=O)(=O)C1=CC(=CC(=C1)C(OCC#C)=O)N(=O)=O |