![2-(2-Hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione](/api/spectrum/HReBKZ7Qkib/structure.png?h=300&w=458 "2-(2-Hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione")
| SpectraBase Compound ID | DPT7zmV07h6 |
|---|---|
| InChI | InChI=1S/C14H10N2O5/c17-5-4-15-13(18)10-3-1-2-8-6-9(16(20)21)7-11(12(8)10)14(15)19/h1-3,6-7,17H,4-5H2 |
| InChIKey | DZWAVLDRXDPZOM-UHFFFAOYSA-N |
| Mol Weight | 286.24 g/mol |
| Molecular Formula | C14H10N2O5 |
| Exact Mass | 286.058971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HReBKZ7Qkib |
|---|---|
| Name | 2-(2-Hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.058971425 u |
| Formula | C14H10N2O5 |
| InChI | InChI=1S/C14H10N2O5/c17-5-4-15-13(18)10-3-1-2-8-6-9(16(20)21)7-11(12(8)10)14(15)19/h1-3,6-7,17H,4-5H2 |
| InChIKey | DZWAVLDRXDPZOM-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC2=C3C(=C1)C(=O)N(C(C3=CC=C2)=O)CCO |