| SpectraBase Compound ID | GUk02JwRDYZ |
|---|---|
| InChI | InChI=1S/C14H19NO3/c1-3-10-18-13(16)8-9-15-14(17)12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,17) |
| InChIKey | WRZIYDBAFRCQKF-UHFFFAOYSA-N |
| Mol Weight | 249.31 g/mol |
| Molecular Formula | C14H19NO3 |
| Exact Mass | 249.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZsThkQqSlj |
|---|---|
| Name | .beta.-Alanine, N-(2-methylbenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.136493473 u |
| Formula | C14H19NO3 |
| InChI | InChI=1S/C14H19NO3/c1-3-10-18-13(16)8-9-15-14(17)12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,17) |
| InChIKey | WRZIYDBAFRCQKF-UHFFFAOYSA-N |
| Molecular Weight | 249.310 g/mol |
| SMILES | C1(=CC=CC=C1C(NCCC(OCCC)=O)=O)C |