| SpectraBase Compound ID | 99JOPmfccWN |
|---|---|
| InChI | InChI=1S/C11H10N2O6/c14-11(19-6-7-1-2-7)9-4-3-8(12(15)16)5-10(9)13(17)18/h3-5,7H,1-2,6H2 |
| InChIKey | XXTXKCCSHDGFQY-UHFFFAOYSA-N |
| Mol Weight | 266.21 g/mol |
| Molecular Formula | C11H10N2O6 |
| Exact Mass | 266.053886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jZfSEk0rnu |
|---|---|
| Name | Cyclopropylmethyl 2,4-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.053886044 u |
| Formula | C11H10N2O6 |
| InChI | InChI=1S/C11H10N2O6/c14-11(19-6-7-1-2-7)9-4-3-8(12(15)16)5-10(9)13(17)18/h3-5,7H,1-2,6H2 |
| InChIKey | XXTXKCCSHDGFQY-UHFFFAOYSA-N |
| Molecular Weight | 266.209 g/mol |
| SMILES | C(C1=C(C=C(C=C1)N(=O)=O)N(=O)=O)(=O)OCC1CC1 |