| SpectraBase Compound ID | CkHFBAgYDa |
|---|---|
| InChI | InChI=1S/C10H6N2O6/c13-7(14)4-11-9(15)5-2-1-3-6(12(17)18)8(5)10(11)16/h1-3H,4H2,(H,13,14) |
| InChIKey | VEVGTTUIMHJYSO-UHFFFAOYSA-N |
| Mol Weight | 250.17 g/mol |
| Molecular Formula | C10H6N2O6 |
| Exact Mass | 250.022586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9AEstYPiHSa |
|---|---|
| Name | 2H-Isoindole-2-acetic acid, 1,3-dihydro-4-nitro-1,3-dioxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.022585915 u |
| Formula | C10H6N2O6 |
| InChI | InChI=1S/C10H6N2O6/c13-7(14)4-11-9(15)5-2-1-3-6(12(17)18)8(5)10(11)16/h1-3H,4H2,(H,13,14) |
| InChIKey | VEVGTTUIMHJYSO-UHFFFAOYSA-N |
| Molecular Weight | 250.166 g/mol |
| SMILES | C(O)(=O)CN1C(=O)C2=CC=CC(=C2C1=O)N(=O)=O |