![5-[2-[4-Nitrophenyl]ethenyl]-1,3-benzodioxole](/api/spectrum/2aMoXD8W6Wc/structure.png?h=300&w=458 "5-[2-[4-Nitrophenyl]ethenyl]-1,3-benzodioxole")
| SpectraBase Compound ID | GOow04Bbz04 |
|---|---|
| InChI | InChI=1S/C15H11NO4/c17-16(18)13-6-3-11(4-7-13)1-2-12-5-8-14-15(9-12)20-10-19-14/h1-9H,10H2/b2-1+ |
| InChIKey | YBUXYUGNCKDTFK-OWOJBTEDSA-N |
| Mol Weight | 269.26 g/mol |
| Molecular Formula | C15H11NO4 |
| Exact Mass | 269.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2aMoXD8W6Wc |
|---|---|
| Name | 5-[2-[4-Nitrophenyl]ethenyl]-1,3-benzodioxole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.068807834 u |
| Formula | C15H11NO4 |
| InChI | InChI=1S/C15H11NO4/c17-16(18)13-6-3-11(4-7-13)1-2-12-5-8-14-15(9-12)20-10-19-14/h1-9H,10H2/b2-1+ |
| InChIKey | YBUXYUGNCKDTFK-OWOJBTEDSA-N |
| SMILES | C1(=CC=C(C=C1)\C=C\C1=CC=C2OCOC2=C1)N(=O)=O |