| SpectraBase Compound ID | 5Jtd4g9O4P0 |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-4-13-5-7-14(8-6-13)16(19)17-10-9-15(18)20-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19) |
| InChIKey | LMAJCEWWZVFOQQ-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WPAlFfP5QX |
|---|---|
| Name | .beta.-Alanine, N-(4-ethylbenzoyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-4-13-5-7-14(8-6-13)16(19)17-10-9-15(18)20-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19) |
| InChIKey | LMAJCEWWZVFOQQ-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(NCCC(OCC(C)C)=O)=O)CC |