| SpectraBase Compound ID | HNJ9cfy2TKq |
|---|---|
| InChI | InChI=1S/C13H9NO5/c15-14(16)9-1-3-10(4-2-9)19-11-5-6-12-13(7-11)18-8-17-12/h1-7H,8H2 |
| InChIKey | COESAXSVDFHOHC-UHFFFAOYSA-N |
| Mol Weight | 259.22 g/mol |
| Molecular Formula | C13H9NO5 |
| Exact Mass | 259.048072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ceQK1iiKQs |
|---|---|
| Name | 1,3-Benzodioxole, 5-(4-nitrophenoxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.048072389 u |
| Formula | C13H9NO5 |
| InChI | InChI=1S/C13H9NO5/c15-14(16)9-1-3-10(4-2-9)19-11-5-6-12-13(7-11)18-8-17-12/h1-7H,8H2 |
| InChIKey | COESAXSVDFHOHC-UHFFFAOYSA-N |
| Molecular Weight | 259.217 g/mol |
| SMILES | C1=C(OC2=CC=3OCOC3C=C2)C=CC(N(=O)=O)=C1 |