| SpectraBase Compound ID | K26ZKhwu8No |
|---|---|
| InChI | InChI=1S/C18H21NO4/c1-18(2,3)13-8-6-12(7-9-13)14(11-16(20)21)19-17(22)15-5-4-10-23-15/h4-10,14H,11H2,1-3H3,(H,19,22)(H,20,21) |
| InChIKey | WXRYWWVHGLSKGB-UHFFFAOYSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C18H21NO4 |
| Exact Mass | 315.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F4BspvwQjEV |
|---|---|
| Name | 3-(4-Tert-butylphenyl)-3-(2-furoylamino)propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.147058156 u |
| Formula | C18H21NO4 |
| InChI | InChI=1S/C18H21NO4/c1-18(2,3)13-8-6-12(7-9-13)14(11-16(20)21)19-17(22)15-5-4-10-23-15/h4-10,14H,11H2,1-3H3,(H,19,22)(H,20,21) |
| InChIKey | WXRYWWVHGLSKGB-UHFFFAOYSA-N |
| SMILES | C=1C=C(C=CC1C(CC(O)=O)NC(=O)C1=CC=CO1)C(C)(C)C |