| SpectraBase Compound ID | 1nkLOj7XuG5 |
|---|---|
| InChI | InChI=1S/C13H17NO4/c1-3-18-12(15)8-9-14-13(16)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,16) |
| InChIKey | RDVGDIITDFDTLE-UHFFFAOYSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C13H17NO4 |
| Exact Mass | 251.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LhaQSl6599 |
|---|---|
| Name | .beta.-Alanine, N-(4-methoxybenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.115758027 u |
| Formula | C13H17NO4 |
| InChI | InChI=1S/C13H17NO4/c1-3-18-12(15)8-9-14-13(16)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,16) |
| InChIKey | RDVGDIITDFDTLE-UHFFFAOYSA-N |
| Molecular Weight | 251.282 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCC)=O)=O)OC |