![4-{[3-(Methylamino)-3-oxopropanoyl]amino}benzoic acid](/api/spectrum/KiufDeTuek9/structure.png?h=300&w=458 "4-{[3-(Methylamino)-3-oxopropanoyl]amino}benzoic acid")
| SpectraBase Compound ID | 3ND80uqsvdz |
|---|---|
| InChI | InChI=1S/C11H12N2O4/c1-12-9(14)6-10(15)13-8-4-2-7(3-5-8)11(16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17) |
| InChIKey | WMWZFNULYKDXKX-UHFFFAOYSA-N |
| Mol Weight | 236.23 g/mol |
| Molecular Formula | C11H12N2O4 |
| Exact Mass | 236.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KiufDeTuek9 |
|---|---|
| Name | 4-{[3-(Methylamino)-3-oxopropanoyl]amino}benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.079706870 u |
| Formula | C11H12N2O4 |
| InChI | InChI=1S/C11H12N2O4/c1-12-9(14)6-10(15)13-8-4-2-7(3-5-8)11(16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17) |
| InChIKey | WMWZFNULYKDXKX-UHFFFAOYSA-N |
| Molecular Weight | 236.227 g/mol |
| SMILES | N(C(CC(NC=1C=CC(C(=O)O)=CC1)=O)=O)C |