![Benzenepropanoic acid, 4-fluoro-beta-[(2-furanylcarbonyl)amino]-](/api/spectrum/9Cq9g9vZbLS/structure.png?h=300&w=458 "Benzenepropanoic acid, 4-fluoro-beta-[(2-furanylcarbonyl)amino]-")
| SpectraBase Compound ID | LUAEgA8MUw9 |
|---|---|
| InChI | InChI=1S/C14H12FNO4/c15-10-5-3-9(4-6-10)11(8-13(17)18)16-14(19)12-2-1-7-20-12/h1-7,11H,8H2,(H,16,19)(H,17,18) |
| InChIKey | VJPARMNENBJWEO-UHFFFAOYSA-N |
| Mol Weight | 277.25 g/mol |
| Molecular Formula | C14H12FNO4 |
| Exact Mass | 277.075036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Cq9g9vZbLS |
|---|---|
| Name | Benzenepropanoic acid, 4-fluoro-beta-[(2-furanylcarbonyl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.075036029 u |
| Formula | C14H12FNO4 |
| InChI | InChI=1S/C14H12FNO4/c15-10-5-3-9(4-6-10)11(8-13(17)18)16-14(19)12-2-1-7-20-12/h1-7,11H,8H2,(H,16,19)(H,17,18) |
| InChIKey | VJPARMNENBJWEO-UHFFFAOYSA-N |
| Molecular Weight | 277.251 g/mol |
| SMILES | N(C(C=1OC=CC1)=O)C(CC(=O)O)C1=CC=C(C=C1)F |