| SpectraBase Compound ID | JFgGAr8BIZs |
|---|---|
| InChI | InChI=1S/C16H17NO3/c18-14-8-6-12(7-9-14)10-15(16(19)20)17-11-13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2,(H,19,20) |
| InChIKey | WUTPXBXSEMJIDW-UHFFFAOYSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C16H17NO3 |
| Exact Mass | 271.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmYOYqYfWjI |
|---|---|
| Name | 2-(Benzylamino)-3-(4-hydroxyphenyl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.120843408 u |
| Formula | C16H17NO3 |
| InChI | InChI=1S/C16H17NO3/c18-14-8-6-12(7-9-14)10-15(16(19)20)17-11-13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2,(H,19,20) |
| InChIKey | WUTPXBXSEMJIDW-UHFFFAOYSA-N |
| SMILES | C(C(CC=1C=CC(=CC1)O)NCC=1C=CC=CC1)(=O)O |