| SpectraBase Compound ID | 4RlTbHnE8A5 |
|---|---|
| InChI | InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1 |
| InChIKey | IPWQOZCSQLTKOI-QMMMGPOBSA-N |
| Mol Weight | 208.22 g/mol |
| Molecular Formula | C10H12N2O3 |
| Exact Mass | 208.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSmgzn8LgHV |
|---|---|
| Name | (2S)-2-(Carbamoylamino)-3-phenylpropanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.084792251 u |
| Formula | C10H12N2O3 |
| InChI | InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1 |
| InChIKey | IPWQOZCSQLTKOI-QMMMGPOBSA-N |
| Molecular Weight | 208.217 g/mol |
| SMILES | C(N[C@](C(=O)O)(CC=1C=CC=CC1)[H])(=O)N |