![3-[(1,4-Dioxonaphthalen-2-yl)amino]propanoic acid](/api/spectrum/3NkQzHLdOGe/structure.png?h=300&w=458 "3-[(1,4-Dioxonaphthalen-2-yl)amino]propanoic acid")
| SpectraBase Compound ID | GTvYLh3hrhZ |
|---|---|
| InChI | InChI=1S/C13H11NO4/c15-11-7-10(14-6-5-12(16)17)13(18)9-4-2-1-3-8(9)11/h1-4,7,14H,5-6H2,(H,16,17) |
| InChIKey | UBOBFXKJVLLOBY-UHFFFAOYSA-N |
| Mol Weight | 245.23 g/mol |
| Molecular Formula | C13H11NO4 |
| Exact Mass | 245.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3NkQzHLdOGe |
|---|---|
| Name | 3-[(1,4-Dioxonaphthalen-2-yl)amino]propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.068807834 u |
| Formula | C13H11NO4 |
| InChI | InChI=1S/C13H11NO4/c15-11-7-10(14-6-5-12(16)17)13(18)9-4-2-1-3-8(9)11/h1-4,7,14H,5-6H2,(H,16,17) |
| InChIKey | UBOBFXKJVLLOBY-UHFFFAOYSA-N |
| Molecular Weight | 245.234 g/mol |
| SMILES | C1=CC=CC2=C1C(C=C(C2=O)NCCC(O)=O)=O |