| SpectraBase Compound ID | JRssi8E7a0C |
|---|---|
| InChI | InChI=1S/C17H17NO3/c19-16(14-9-5-2-6-10-14)18-15(17(20)21)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m0/s1 |
| InChIKey | KYQLWMGRTKMDAA-HNNXBMFYSA-N |
| Mol Weight | 283.33 g/mol |
| Molecular Formula | C17H17NO3 |
| Exact Mass | 283.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3FiXiYVKc8 |
|---|---|
| Name | (S)-2-Benzamido-4-phenylbutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.120843408 u |
| Formula | C17H17NO3 |
| InChI | InChI=1S/C17H17NO3/c19-16(14-9-5-2-6-10-14)18-15(17(20)21)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)(H,20,21)/t15-/m0/s1 |
| InChIKey | KYQLWMGRTKMDAA-HNNXBMFYSA-N |
| SMILES | C(N[C@](C(=O)O)(CCC=1C=CC=CC1)[H])(=O)C=1C=CC=CC1 |