![6-[(4-Nitrophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxine](/api/spectrum/C5NH60VsyFI/structure.png?h=300&w=458 "6-[(4-Nitrophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxine")
| SpectraBase Compound ID | G6nno4qIDMF |
|---|---|
| InChI | InChI=1S/C15H11NO5/c17-15(10-1-4-12(5-2-10)16(18)19)11-3-6-13-14(9-11)21-8-7-20-13/h1-6,9H,7-8H2 |
| InChIKey | ACTMTFINCCPVAR-UHFFFAOYSA-N |
| Mol Weight | 285.25 g/mol |
| Molecular Formula | C15H11NO5 |
| Exact Mass | 285.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5NH60VsyFI |
|---|---|
| Name | 6-[(4-Nitrophenyl)carbonyl]-2,3-dihydro-1,4-benzodioxine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.063722453 u |
| Formula | C15H11NO5 |
| InChI | InChI=1S/C15H11NO5/c17-15(10-1-4-12(5-2-10)16(18)19)11-3-6-13-14(9-11)21-8-7-20-13/h1-6,9H,7-8H2 |
| InChIKey | ACTMTFINCCPVAR-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(=O)C=1C=C2OCCOC2=CC1)N(=O)=O |