![4-{[3-(Furan-2-yl)propyl]carbamoyl}butanoic acid](/api/spectrum/GUE3Q4AcRUB/structure.png?h=300&w=458 "4-{[3-(Furan-2-yl)propyl]carbamoyl}butanoic acid")
| SpectraBase Compound ID | IDNVshFxQDj |
|---|---|
| InChI | InChI=1S/C12H17NO4/c14-11(6-1-7-12(15)16)13-8-2-4-10-5-3-9-17-10/h3,5,9H,1-2,4,6-8H2,(H,13,14)(H,15,16) |
| InChIKey | PFKHZEOAHOEJLH-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C12H17NO4 |
| Exact Mass | 239.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUE3Q4AcRUB |
|---|---|
| Name | 4-{[3-(Furan-2-yl)propyl]carbamoyl}butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.115758027 u |
| Formula | C12H17NO4 |
| InChI | InChI=1S/C12H17NO4/c14-11(6-1-7-12(15)16)13-8-2-4-10-5-3-9-17-10/h3,5,9H,1-2,4,6-8H2,(H,13,14)(H,15,16) |
| InChIKey | PFKHZEOAHOEJLH-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | C(O)(=O)CCCC(NCCCC=1OC=CC1)=O |