| SpectraBase Compound ID | 3lE9n1ek3dY |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-3-5-6-13-7-9-14(10-8-13)16(19)17-12-11-15(18)20-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19) |
| InChIKey | IZRFWMMBBHOWSW-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 | Fu1bDD1Ns3S |
|---|---|
| Name | .beta.-Alanine, N-(4-butylbenzoyl)-, ethyl 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/c1-3-5-6-13-7-9-14(10-8-13)16(19)17-12-11-15(18)20-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19) |
| InChIKey | IZRFWMMBBHOWSW-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(NCCC(OCC)=O)=O)CCCC |