| SpectraBase Compound ID | 61bSrL3Y3kP |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-3-17-12(15)8-9-14-13(16)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16) |
| InChIKey | SSXFUIIOIDYWMG-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | NEsJLfDBSS |
|---|---|
| Name | .beta.-Alanine, N-(4-methylbenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-3-17-12(15)8-9-14-13(16)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16) |
| InChIKey | SSXFUIIOIDYWMG-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCC)=O)=O)C |