![(2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[E][1,4]diazepin-3-yl)-acetic acid](/api/spectrum/1ceC9oxDite/structure.png?h=300&w=458 "(2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[E][1,4]diazepin-3-yl)-acetic acid")
| SpectraBase Compound ID | LNtgtvFAZWE |
|---|---|
| InChI | InChI=1S/C11H10N2O4/c14-9(15)5-8-11(17)12-7-4-2-1-3-6(7)10(16)13-8/h1-4,8H,5H2,(H,12,17)(H,13,16)(H,14,15) |
| InChIKey | PZADUWCGARVTQN-UHFFFAOYSA-N |
| Mol Weight | 234.21 g/mol |
| Molecular Formula | C11H10N2O4 |
| Exact Mass | 234.064057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ceC9oxDite |
|---|---|
| Name | (2,5-Dioxo-2,3,4,5-tetrahydro-1H-benzo[E][1,4]diazepin-3-yl)-acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.064056806 u |
| Formula | C11H10N2O4 |
| InChI | InChI=1S/C11H10N2O4/c14-9(15)5-8-11(17)12-7-4-2-1-3-6(7)10(16)13-8/h1-4,8H,5H2,(H,12,17)(H,13,16)(H,14,15) |
| InChIKey | PZADUWCGARVTQN-UHFFFAOYSA-N |
| Molecular Weight | 234.211 g/mol |
| SMILES | C1=CC=C2C(=C1)NC(=O)C(NC2=O)CC(O)=O |