![4-{[3-(Pyridin-4-yl)propyl]carbamoyl}butanoic acid](/api/spectrum/HWagc3emPG5/structure.png?h=300&w=458 "4-{[3-(Pyridin-4-yl)propyl]carbamoyl}butanoic acid")
| SpectraBase Compound ID | 3vZAHkr8cI2 |
|---|---|
| InChI | InChI=1S/C13H18N2O3/c16-12(4-1-5-13(17)18)15-8-2-3-11-6-9-14-10-7-11/h6-7,9-10H,1-5,8H2,(H,15,16)(H,17,18) |
| InChIKey | NDDRJYGRLATHLW-UHFFFAOYSA-N |
| Mol Weight | 250.3 g/mol |
| Molecular Formula | C13H18N2O3 |
| Exact Mass | 250.131742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWagc3emPG5 |
|---|---|
| Name | 4-{[3-(Pyridin-4-yl)propyl]carbamoyl}butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.131742445 u |
| Formula | C13H18N2O3 |
| InChI | InChI=1S/C13H18N2O3/c16-12(4-1-5-13(17)18)15-8-2-3-11-6-9-14-10-7-11/h6-7,9-10H,1-5,8H2,(H,15,16)(H,17,18) |
| InChIKey | NDDRJYGRLATHLW-UHFFFAOYSA-N |
| Molecular Weight | 250.298 g/mol |
| SMILES | C1=CC(=CC=N1)CCCNC(=O)CCCC(O)=O |