| SpectraBase Compound ID | JnXuKP2EMQe |
|---|---|
| InChI | InChI=1S/C10H12N2O3/c13-9(14)6-7-11-10(15)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H2,11,12,15) |
| InChIKey | IYVODFJSPSNFKO-UHFFFAOYSA-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 | 4rSx699Vuow |
|---|---|
| Name | N-(Phenylcarbamoyl)-beta-alanine |
| 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/c13-9(14)6-7-11-10(15)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H2,11,12,15) |
| InChIKey | IYVODFJSPSNFKO-UHFFFAOYSA-N |
| Molecular Weight | 208.217 g/mol |
| SMILES | N(C1=CC=CC=C1)C(NCCC(O)=O)=O |